data_2mzp_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 2mzp _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.28 0 CA-C-O 120.502 0.191 . . . . 0.0 110.55 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.48 -41.93 92.75 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.501 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 55.8 t -69.26 -43.29 81.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.674 179.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -62.22 -40.71 97.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.288 -179.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -64.42 -37.77 88.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.299 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . 0.546 ' O ' ' NZ ' ' C' ' 17' ' ' LYS . 0.9 OUTLIER -47.87 143.88 3.84 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.661 -179.606 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 71.1 p -78.63 162.86 25.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.539 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 14' ' ' GLU . . . . . 0.427 ' O ' ' OD1' ' C' ' 18' ' ' ASN . 96.9 mt-10 -63.02 -37.35 86.82 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.565 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -66.21 -42.88 88.14 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.785 -179.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 16' ' ' GLN . . . . . 0.454 ' O ' ' CD2' ' C' ' 20' ' ' PHE . 58.6 mt-30 -61.36 -41.67 97.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.898 179.458 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 17' ' ' LYS . . . . . 0.546 ' NZ ' ' O ' ' C' ' 12' ' ' LEU . 51.2 mttp -65.21 -39.55 92.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.829 179.3 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 18' ' ' ASN . . . . . 0.427 ' OD1' ' O ' ' C' ' 14' ' ' GLU . 27.2 m120 -62.43 -39.36 93.08 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.978 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.03 -45.77 92.12 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.747 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . 0.454 ' CD2' ' O ' ' C' ' 16' ' ' GLN . 47.7 m-85 -69.59 -38.93 77.53 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.619 179.465 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -60.22 -40.24 89.49 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.148 179.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.26 -42.25 98.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.3 179.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.45 -38.2 88.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.398 178.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -57.92 -47.66 82.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.405 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -59.46 -39.79 84.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.29 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 93.6 mt -68.33 -39.74 81.42 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.241 0 CA-C-O 121.199 0.523 . . . . 0.0 110.597 179.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 27' ' ' PHE . . . . . 0.441 ' C ' ' H ' ' C' ' 29' ' ' LEU . 2.6 m-85 -57.96 -41.35 82.68 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.238 -178.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 27.0 m -78.23 20.38 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.928 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 29' ' ' LEU . . . . . 0.441 ' H ' ' C ' ' C' ' 27' ' ' PHE . 3.6 pp -59.68 -10.41 3.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.515 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . -119.46 8.61 12.03 Favored Glycine 0 CA--C 1.519 0.321 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 -179.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 31' ' ' ALA . . . . . 0.409 ' CB ' ' O ' ' C' ' 35' ' ' CYS . . . -126.04 125.35 42.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.823 0.344 . . . . 0.0 110.641 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -81.49 -31.06 33.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.893 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -72.13 -15.58 61.98 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.526 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 89.23 10.54 65.89 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 35' ' ' CYS . . . . . 0.409 ' O ' ' CB ' ' C' ' 31' ' ' ALA . 75.3 m -101.59 150.93 22.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.793 0.33 . . . . 0.0 110.465 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 84.3 mt -102.6 121.34 53.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.118 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 49.6 m -122.16 -168.63 1.75 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.581 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 73.1 p -64.43 -31.37 72.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.349 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 63.6 mmtt -62.45 -45.15 94.37 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.781 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 46.7 mp0 -64.88 -42.78 94.52 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.728 179.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 10.9 tp -68.07 -35.97 79.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.192 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.53 -40.99 98.55 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.786 -0.926 . . . . 0.0 110.786 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -66.52 -40.2 89.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.866 0.365 . . . . 0.0 110.595 179.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 74.7 t -63.29 -47.16 93.41 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.518 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 27.3 mtt -63.24 -38.78 92.5 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.864 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -57.57 -43.72 84.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.368 -179.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 51.3 ttm -62.82 -39.12 93.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.065 0.46 . . . . 0.0 110.579 178.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 95.6 mt -65.57 -18.92 65.68 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.572 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.41 8.32 41.05 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -104.8 131.98 51.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.839 0.352 . . . . 0.0 110.466 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 51' ' ' ASN . . . . . 0.44 ' N ' ' OD1' ' C' ' 51' ' ' ASN . 21.3 p-10 -136.22 64.68 54.83 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.807 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -72.36 -167.38 0.32 Allowed 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 123.011 2.474 . . . . 0.0 112.02 179.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 53' ' ' THR . . . . . 0.494 ' H ' ' HG1' ' C' ' 53' ' ' THR . 2.2 p -90.26 151.51 44.73 Favored Pre-proline 0 C--O 1.242 0.658 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.091 -179.447 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -61.84 -30.36 84.13 Favored 'Trans proline' 0 C--N 1.308 -1.591 0 C-N-CA 122.463 2.109 . . . . 0.0 112.217 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -62.56 -36.25 82.06 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.13 -0.487 . . . . 0.0 109.85 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -68.71 -40.78 79.79 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.201 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 8.9 mp -60.37 -40.96 92.66 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.842 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 58' ' ' GLN . . . . . 0.535 ' NE2' ' OD2' ' C' ' 62' ' ' ASP . 25.8 tm0? -66.2 -42.12 89.23 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 -64.37 -39.21 93.43 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.129 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -60.06 -44.95 94.37 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.987 0.422 . . . . 0.0 110.499 -179.437 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 61' ' ' ILE . . . . . 0.496 ' O ' ' N ' ' C' ' 65' ' ' ASP . 87.4 mt -60.48 -41.45 87.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.211 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 62' ' ' ASP . . . . . 0.535 ' OD2' ' NE2' ' C' ' 58' ' ' GLN . 95.4 m-20 -59.69 -39.01 83.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.606 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -61.91 -41.43 97.91 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.394 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 53.8 t -85.43 -32.06 7.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 65' ' ' ASP . . . . . 0.506 ' OD2' ' N ' ' C' ' 69' ' ' SER . 47.7 t0 -83.81 116.51 22.75 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.547 -179.578 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -72.01 -34.69 69.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.51 -179.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 67' ' ' ASP . . . . . 0.401 ' OD1' ' OD1' ' C' ' 65' ' ' ASP . 0.6 OUTLIER -81.66 -14.83 56.15 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.041 -179.777 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 65.67 20.03 67.74 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.5 -1.04 . . . . 0.0 110.5 179.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 69' ' ' SER . . . . . 0.506 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 84.5 p -60.6 -21.59 62.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.792 0.329 . . . . 0.0 110.72 -179.179 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 86.77 5.24 81.65 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 69.4 p -128.94 152.76 48.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.721 0.296 . . . . 0.0 110.494 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 94.1 t -119.31 124.48 73.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.672 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -103.01 -177.36 3.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.746 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -58.89 -48.16 82.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.706 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -60.32 -46.24 90.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.617 -179.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -65.89 -40.15 91.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.929 0.395 . . . . 0.0 110.597 178.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -60.16 -46.02 91.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.352 178.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 62.3 tp -60.12 -44.65 94.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.466 -179.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 57.5 t -63.05 -42.6 97.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.895 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 43.3 ttp -63.6 -39.03 93.32 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.167 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 81' ' ' MET . . . . . 0.457 ' C ' ' SD ' ' C' ' 81' ' ' MET . 0.0 OUTLIER -63.84 -47.46 80.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.695 -179.113 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 75.8 t -66.68 -42.0 88.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.58 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 77.1 ttt-85 -60.85 -44.45 96.97 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.709 -178.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 84' ' ' CYS . . . . . . . . . . . . . 92.0 m -62.8 -41.71 99.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.803 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 8.0 tpt -66.49 -44.62 82.12 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.604 -179.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 62.3 tttp . . . . . 0 N--CA 1.451 -0.383 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.752 179.506 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.899 0.381 . . . . 0.0 110.559 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 26.5 ttm -63.48 -43.33 97.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.851 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 154' ' ' MET . . . . . 0.405 ' N ' ' SD ' ' I' ' 154' ' ' MET . 0.0 OUTLIER -59.09 -37.86 78.14 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.388 -179.347 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 -72.23 -34.37 68.26 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.851 0.358 . . . . 0.0 110.81 179.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.449 -179.8 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.2 0 CA-C-O 120.835 0.35 . . . . 0.0 110.431 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.83 -42.21 97.69 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.549 -179.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 57.6 t -62.2 -47.38 93.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.643 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -67.21 -40.7 86.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.743 179.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.35 -38.9 91.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.944 -179.493 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 1.2 mp -50.21 137.17 18.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.921 0.391 . . . . 0.0 110.992 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 13' ' ' THR . . . . . 0.52 ' HG1' ' H ' ' C' ' 16' ' ' GLN . 72.1 p -77.07 165.78 24.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.522 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -61.04 -37.34 82.25 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.949 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -65.36 -41.14 94.14 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.801 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 16' ' ' GLN . . . . . 0.52 ' H ' ' HG1' ' C' ' 13' ' ' THR . 88.0 mt-30 -63.58 -40.87 98.05 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.048 179.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 7.0 mtpt -66.19 -38.63 88.46 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.177 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -61.18 -43.02 99.54 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 119.913 -0.715 . . . . 0.0 110.369 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -63.32 -40.01 96.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.59 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . 0.473 ' CD1' ' C ' ' C' ' 20' ' ' PHE . 0.0 OUTLIER -61.16 -43.87 98.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.522 179.51 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -59.44 -40.97 88.52 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.731 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.55 -42.24 99.41 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.462 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.87 -41.33 99.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.744 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 24' ' ' PHE . . . . . 0.637 ' CD2' ' CE1' ' C' ' 74' ' ' PHE . 55.1 t80 -60.35 -43.35 96.59 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.322 -179.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -59.19 -41.14 87.81 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.058 0.456 . . . . 0.0 110.366 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 97.0 mt -68.86 -41.78 82.29 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 CA-C-O 121.044 0.45 . . . . 0.0 110.675 179.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -56.47 -40.05 74.21 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.957 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 33.5 m -83.28 26.09 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 120.919 -0.313 . . . . 0.0 110.878 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 1.5 pp -45.0 -31.98 1.49 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.048 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . -118.54 23.98 8.75 Favored Glycine 0 CA--C 1.529 0.928 0 N-CA-C 111.799 -0.52 . . . . 0.0 111.799 -179.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 31' ' ' ALA . . . . . 0.508 ' N ' ' OE2' ' C' ' 40' ' ' GLU . . . -135.89 94.25 3.04 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.158 0.504 . . . . 0.0 110.628 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -73.1 -11.11 60.43 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.173 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -83.56 -11.45 57.35 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.437 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 81.96 22.43 59.46 Favored Glycine 0 CA--C 1.522 0.489 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 35' ' ' CYS . . . . . . . . . . . . . 75.2 m -123.63 142.49 51.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.888 0.375 . . . . 0.0 110.836 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 3.4 mt -107.2 124.38 63.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.2 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 37' ' ' SER . . . . . 0.48 ' HG ' ' H ' ' C' ' 38' ' ' THR . 41.4 t -123.32 -166.17 1.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.337 -179.668 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 38' ' ' THR . . . . . 0.48 ' H ' ' HG ' ' C' ' 37' ' ' SER . 70.6 p -66.14 -29.73 70.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.719 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 39' ' ' LYS . . . . . 0.574 ' CB ' ' NZ ' ' C' ' 39' ' ' LYS . 0.0 OUTLIER -61.71 -50.74 71.23 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.656 -0.418 . . . . 0.0 110.814 -179.595 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 40' ' ' GLU . . . . . 0.508 ' OE2' ' N ' ' C' ' 31' ' ' ALA . 49.3 mt-10 -70.33 -39.3 74.81 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 120.335 -0.546 . . . . 0.0 111.12 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 1.5 tp -65.53 -39.56 91.93 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -179.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.77 -38.66 96.3 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.27 -42.32 93.31 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.085 0.469 . . . . 0.0 110.593 -179.368 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 65.2 t -63.37 -41.28 92.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.208 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 22.1 mmt -60.57 -40.52 91.96 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.67 -179.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 61.0 mtm180 -62.52 -39.19 92.78 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.143 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 7.7 mmm -62.4 -38.7 90.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.123 0.487 . . . . 0.0 110.27 179.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 93.9 mt -68.39 -16.68 64.01 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.608 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 101.19 9.21 45.49 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -109.98 141.43 42.77 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.754 0.311 . . . . 0.0 110.2 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -139.9 73.43 33.47 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.702 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -77.63 -171.07 1.08 Allowed 'Trans proline' 0 C--N 1.307 -1.635 0 C-N-CA 122.786 2.324 . . . . 0.0 112.166 -179.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 7.9 p -92.18 154.51 43.15 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.46 -179.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_exo -52.15 -38.26 70.81 Favored 'Trans proline' 0 N--CA 1.497 1.721 0 C-N-CA 121.801 1.667 . . . . 0.0 112.489 179.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -61.82 -37.04 82.92 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.075 0.464 . . . . 0.0 111.27 -178.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -66.72 -40.95 88.62 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.053 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 82.4 mt -62.72 -40.92 98.69 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.395 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 71.6 tp60 -66.41 -41.4 89.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.148 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -63.79 -40.01 95.62 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.791 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 8.4 mmt -60.15 -43.59 95.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.425 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 61' ' ' ILE . . . . . 0.403 ' O ' ' N ' ' C' ' 65' ' ' ASP . 96.7 mt -67.85 -39.47 81.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.012 179.365 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -58.92 -39.45 81.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.573 -179.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -61.21 -38.78 87.79 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.535 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 46.5 t -89.97 -31.23 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.256 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 65' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' C' ' 61' ' ' ILE . 66.4 t0 -79.88 116.38 20.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.11 -178.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -76.51 -38.17 55.59 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.953 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 67' ' ' ASP . . . . . 0.43 ' OD2' ' OG ' ' C' ' 69' ' ' SER . 0.5 OUTLIER -76.53 -12.89 60.1 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.0 -179.432 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.71 14.27 67.2 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.536 -1.025 . . . . 0.0 110.536 179.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 69' ' ' SER . . . . . 0.43 ' OG ' ' OD2' ' C' ' 67' ' ' ASP . 98.1 p -62.16 -22.87 66.22 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 121.084 -0.247 . . . . 0.0 110.805 -179.346 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 88.18 6.13 75.36 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 58.7 p -133.83 159.26 41.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.514 0.197 . . . . 0.0 110.532 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 47.1 t -117.1 124.31 72.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 56.1 p30 -94.53 -169.97 2.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.043 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 74' ' ' PHE . . . . . 0.637 ' CE1' ' CD2' ' C' ' 24' ' ' PHE . 5.9 m-85 -60.87 -50.75 72.15 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -63.02 -44.65 95.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.215 -179.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -65.27 -41.65 93.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.307 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -61.95 -46.04 91.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.415 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 47.7 tp -60.87 -41.48 96.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.97 -178.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.24 -40.27 87.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.329 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 64.8 ttp -63.52 -39.33 94.15 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.078 -179.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 23.2 ttt -61.85 -46.11 90.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.491 -179.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 66.5 t -65.41 -40.99 90.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.698 179.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 3.5 ttp85 -56.67 -43.41 80.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.367 -178.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 84' ' ' CYS . . . . . . . . . . . . . 54.1 t -61.5 -45.7 93.1 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.287 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 18.9 mmt -61.41 -28.96 69.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.443 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 67.3 mmtt . . . . . 0 C--N 1.326 -0.416 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.56 -179.614 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.798 0.333 . . . . 0.0 110.528 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 50.6 ttm -61.87 -46.35 89.81 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.589 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 154' ' ' MET . . . . . . . . . . . . . 10.5 mmt -62.7 -39.91 95.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.696 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -60.95 -43.9 98.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.645 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.338 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.802 -179.999 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.187 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.99 -41.89 99.7 Favored 'General case' 0 C--N 1.333 -0.152 0 C-N-CA 120.307 -0.557 . . . . 0.0 110.068 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 53.0 t -61.71 -46.85 95.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.124 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -70.45 -38.45 74.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.765 179.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -70.72 -19.54 62.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.081 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 2.5 tp -54.24 148.45 11.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.924 0.392 . . . . 0.0 110.462 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 68.9 p -76.97 161.88 28.02 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.64 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -64.57 -39.41 93.69 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.354 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -62.82 -44.08 97.11 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.748 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -63.05 -40.71 98.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.153 0.502 . . . . 0.0 109.804 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 14.5 mmmt -63.11 -40.74 98.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.457 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -65.83 -39.77 91.14 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.443 -0.503 . . . . 0.0 111.264 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -62.1 -40.74 96.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.982 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -74.63 -38.61 62.47 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.096 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 24.4 ttpp -58.93 -41.41 87.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.299 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.2 -41.75 97.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.891 0.377 . . . . 0.0 110.222 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.62 -40.0 95.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.46 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -58.66 -45.83 88.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.098 -179.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -59.3 -44.02 92.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.069 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 87.0 mt -65.57 -42.94 94.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.906 179.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -59.44 -39.65 84.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.032 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . 0.644 ' O ' ' N ' ' C' ' 30' ' ' GLY . 22.1 m -94.42 34.44 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.431 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -38.32 80.28 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.89 0.744 . . . . 0.0 111.622 -179.543 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 30' ' ' GLY . . . . . 0.644 ' N ' ' O ' ' C' ' 28' ' ' VAL . . . 64.72 31.02 79.53 Favored Glycine 0 CA--C 1.528 0.853 0 N-CA-C 110.665 -0.974 . . . . 0.0 110.665 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.55 132.68 13.68 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.296 -179.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -62.81 -42.85 99.89 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.633 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 56.8 p-10 -85.19 -12.72 52.01 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.965 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 79.92 11.09 84.93 Favored Glycine 0 CA--C 1.52 0.379 0 N-CA-C 110.687 -0.965 . . . . 0.0 110.687 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 35' ' ' CYS . . . . . . . . . . . . . 78.4 m -133.52 164.28 27.52 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.356 -0.422 . . . . 0.0 110.776 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 80.5 mt -90.8 119.87 38.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 96.6 p -123.96 -169.2 1.91 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.915 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 73.9 p -62.39 -31.94 72.69 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.354 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -65.55 -46.49 79.29 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 121.188 0.518 . . . . 0.0 110.689 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -65.34 -39.79 92.83 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.396 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 1.4 mp -60.48 -40.31 90.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.201 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.04 -39.25 95.47 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.77 -49.81 69.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.312 0.577 . . . . 0.0 110.317 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 77.3 t -62.37 -45.25 99.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 22.0 mmt -60.91 -36.98 80.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.624 -179.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 15.9 ttp85 -53.1 -37.14 61.47 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.126 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 97.7 mtp -63.71 -39.75 95.07 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.228 0.537 . . . . 0.0 110.304 179.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 97.2 mt -68.45 -21.77 64.62 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.563 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 98.93 13.03 41.29 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 89.4 mm-40 -109.34 137.4 47.26 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.064 0.459 . . . . 0.0 111.246 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 41.4 t-20 -139.17 73.75 37.25 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.408 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -77.5 -176.04 3.0 Favored 'Trans proline' 0 C--N 1.308 -1.58 0 C-N-CA 122.535 2.157 . . . . 0.0 111.924 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 74.4 p -79.69 149.41 71.12 Favored Pre-proline 0 CA--C 1.539 0.555 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.471 -179.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -65.66 -32.71 47.07 Favored 'Trans proline' 0 N--CA 1.495 1.587 0 C-N-CA 121.82 1.68 . . . . 0.0 112.196 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 55' ' ' GLU . . . . . 0.459 ' CG ' ' N ' ' C' ' 56' ' ' GLU . 21.5 pt-20 -65.65 -42.84 90.95 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.207 -179.098 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . 0.459 ' N ' ' CG ' ' C' ' 55' ' ' GLU . 1.3 pp20? -73.6 -30.23 62.87 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.149 -0.62 . . . . 0.0 109.387 -179.111 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 65.6 mt -62.62 -39.8 94.93 Favored 'General case' 0 CA--C 1.515 -0.392 0 C-N-CA 120.403 -0.519 . . . . 0.0 109.822 178.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -68.05 -39.51 83.02 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 119.755 -0.778 . . . . 0.0 109.858 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.01 -40.61 96.28 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.535 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 89.3 mtp -61.03 -43.27 99.13 Favored 'General case' 0 CA--C 1.516 -0.329 0 C-N-CA 119.915 -0.714 . . . . 0.0 110.474 178.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 61' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' C' ' 65' ' ' ASP . 95.2 mt -64.18 -43.2 97.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 120.33 -0.548 . . . . 0.0 110.397 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.22 -41.92 94.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.04 -179.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.1 -41.8 97.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.869 0.366 . . . . 0.0 110.812 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 86.5 t -80.07 -32.27 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.731 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 65' ' ' ASP . . . . . 0.503 ' OD2' ' N ' ' C' ' 69' ' ' SER . 68.0 t0 -77.5 115.44 17.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.596 -179.258 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -62.17 -39.92 94.28 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.842 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 67' ' ' ASP . . . . . 0.449 ' OD1' ' OG ' ' C' ' 69' ' ' SER . 0.1 OUTLIER -83.76 -11.95 56.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.699 -179.638 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 66.52 23.03 71.87 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.575 -1.01 . . . . 0.0 110.575 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 69' ' ' SER . . . . . 0.503 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 65.2 m -57.9 -29.75 65.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.591 0.234 . . . . 0.0 110.756 -178.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 95.84 -4.72 66.03 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 14.0 p -133.65 163.09 30.21 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 2.0 t -110.49 123.98 66.86 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 CA-C-O 121.151 0.5 . . . . 0.0 110.192 179.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -93.87 178.92 5.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.298 -0.864 . . . . 0.0 109.949 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -59.93 -49.52 77.36 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.749 -178.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -66.98 -40.31 87.39 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.952 0.406 . . . . 0.0 110.914 179.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -63.77 -39.55 94.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.28 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -61.48 -42.3 98.58 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 179.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 13.1 mt -58.15 -44.23 87.78 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.057 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 59.3 t -63.92 -43.97 97.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 C-N-CA 120.729 -0.389 . . . . 0.0 111.207 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 14.6 tmm? -65.11 -37.7 88.31 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.042 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 81' ' ' MET . . . . . 0.472 ' SD ' ' O ' ' C' ' 81' ' ' MET . 0.0 OUTLIER -60.47 -49.15 78.72 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.605 -178.928 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 60.5 t -65.19 -41.55 91.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.969 0.414 . . . . 0.0 110.38 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -59.92 -42.58 94.21 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.556 -179.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 84' ' ' CYS . . . . . . . . . . . . . 50.5 t -61.28 -43.44 98.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.88 0.371 . . . . 0.0 110.219 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 21.8 mmm -57.83 -43.02 85.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.818 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 29.6 mmtm . . . . . 0 C--N 1.33 -0.269 0 CA-C-O 120.771 0.319 . . . . 0.0 110.746 179.782 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.111 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 18.2 tpt -59.24 -47.33 85.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.457 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 154' ' ' MET . . . . . . . . . . . . . 22.5 mmt -63.5 -41.33 98.54 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.771 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -63.55 -42.9 98.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.592 -179.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.187 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.721 179.509 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.42 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.21 -43.17 99.31 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.015 -0.674 . . . . 0.0 110.033 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 54.6 t -62.57 -47.42 93.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.093 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -64.82 -40.06 94.58 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.834 0.35 . . . . 0.0 110.543 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -62.94 -37.07 85.56 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.904 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 2.0 mp -59.09 134.19 56.76 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-O 120.968 0.413 . . . . 0.0 110.732 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 63.8 p -78.92 166.49 22.32 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.61 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -62.37 -34.69 77.19 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.194 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -66.09 -42.14 89.69 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.656 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 -64.86 -40.94 95.93 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.353 -0.539 . . . . 0.0 109.698 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 23.4 mmtp -62.42 -40.31 96.11 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.735 179.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 40.0 t-20 -63.24 -42.54 99.21 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 119.747 -0.781 . . . . 0.0 110.77 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 -63.35 -38.91 92.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.84 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . 0.6 ' CE2' ' SD ' ' C' ' 81' ' ' MET . 3.8 m-85 -60.67 -43.9 97.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.145 0.498 . . . . 0.0 110.578 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 16.7 mtpt -62.78 -38.76 91.89 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.283 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.89 -43.42 94.79 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.306 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.2 -42.34 99.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.941 0.401 . . . . 0.0 110.197 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -61.92 -44.31 97.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.464 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -59.93 -41.31 91.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.363 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 96.8 mt -70.88 -41.22 77.2 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.659 0 CA-C-O 121.183 0.516 . . . . 0.0 110.249 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -54.28 -37.41 64.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.185 -179.357 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . 0.401 ' C ' ' H ' ' C' ' 30' ' ' GLY . 26.7 m -79.85 17.17 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.094 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 3.3 pp -55.38 -9.03 0.4 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.39 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 30' ' ' GLY . . . . . 0.401 ' H ' ' C ' ' C' ' 28' ' ' VAL . . . -130.98 16.57 5.26 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -130.33 116.91 18.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.908 0.385 . . . . 0.0 111.532 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 32' ' ' GLU . . . . . 0.442 ' OE1' ' N ' ' C' ' 32' ' ' GLU . 18.4 pm0 -75.34 -25.1 57.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.399 179.344 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -87.8 -10.23 51.54 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.642 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.54 14.75 72.78 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 35' ' ' CYS . . . . . . . . . . . . . 81.6 m -105.94 142.61 35.35 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.525 0.202 . . . . 0.0 110.64 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . 0.439 ' O ' ' OG1' ' C' ' 71' ' ' THR . 31.9 mm -103.76 117.83 49.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 15.5 m -114.05 -166.13 1.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.542 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 74.8 p -63.36 -33.67 76.03 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.167 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt -61.79 -45.0 95.75 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.739 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 58.3 mp0 -69.31 -41.37 76.84 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.26 0.552 . . . . 0.0 110.672 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 20.6 mt -62.75 -30.83 71.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.823 178.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.41 -38.0 92.83 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -70.86 -41.98 70.69 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 121.315 0.579 . . . . 0.0 109.817 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 77.2 t -61.81 -43.63 97.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.3 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 21.7 mmt -61.2 -40.39 93.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.841 -179.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 29.1 mtp-105 -61.7 -39.04 90.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.446 179.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 96.7 mmm -61.82 -38.0 86.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.141 0.496 . . . . 0.0 109.926 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 96.6 mt -76.99 -2.55 34.42 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.024 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 82.6 19.1 64.56 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 111.314 -0.714 . . . . 0.0 111.314 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 29.1 mm100 -111.93 145.12 40.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.895 0.379 . . . . 0.0 110.408 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -132.05 73.1 78.54 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.443 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -76.67 -168.07 0.53 Allowed 'Trans proline' 0 C--N 1.308 -1.591 0 C-N-CA 122.678 2.252 . . . . 0.0 111.356 179.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 3.0 p -123.45 157.07 62.97 Favored Pre-proline 0 CA--C 1.537 0.447 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.058 -179.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -51.24 -36.57 57.01 Favored 'Trans proline' 0 N--CA 1.499 1.845 0 C-N-CA 121.906 1.737 . . . . 0.0 112.372 179.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.15 -53.37 59.06 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 112.902 0.705 . . . . 0.0 112.902 -178.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -71.41 -30.71 66.41 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.024 -0.67 . . . . 0.0 110.058 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 82.9 mt -64.27 -39.64 94.35 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.091 178.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 24.2 tm0? -64.05 -42.26 97.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.524 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -63.19 -40.6 97.96 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.298 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 66.7 mmm -60.3 -43.58 96.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.307 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 97.0 mt -68.17 -40.53 82.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.566 179.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -57.72 -35.92 71.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.105 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -57.95 -42.17 84.4 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.733 -178.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 19.6 m -92.18 -27.24 4.76 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.534 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 65' ' ' ASP . . . . . 0.557 ' OD2' ' N ' ' C' ' 69' ' ' SER . 26.2 t0 -70.35 121.16 17.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.874 0.369 . . . . 0.0 110.839 -178.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -81.6 -41.77 21.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.088 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 67' ' ' ASP . . . . . 0.472 ' OD1' ' OD1' ' C' ' 65' ' ' ASP . 37.1 p-10 -93.04 3.25 56.06 Favored 'General case' 0 CA--C 1.52 -0.174 0 C-N-CA 120.471 -0.492 . . . . 0.0 111.807 -179.636 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 66.84 26.6 73.13 Favored Glycine 0 CA--C 1.52 0.378 0 N-CA-C 110.119 -1.192 . . . . 0.0 110.119 179.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 69' ' ' SER . . . . . 0.557 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 94.3 p -55.7 -23.36 28.3 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.464 -178.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 70' ' ' GLY . . . . . 0.403 ' N ' ' OD2' ' C' ' 65' ' ' ASP . . . 85.97 1.49 86.79 Favored Glycine 0 CA--C 1.518 0.281 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.278 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 71' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' C' ' 36' ' ' ILE . 0.2 OUTLIER -146.57 163.93 34.22 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.131 0.491 . . . . 0.0 110.787 179.529 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 31.1 t -99.24 128.68 50.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.863 -179.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -94.22 175.53 6.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.419 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -58.01 -48.14 80.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.999 0.428 . . . . 0.0 110.732 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -62.31 -44.12 97.25 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.102 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -62.78 -39.16 93.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.724 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -58.06 -49.12 78.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.607 179.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 10.3 mt -61.47 -45.15 95.45 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.251 -0.579 . . . . 0.0 111.178 179.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 73.9 t -68.72 -41.06 82.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -179.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 15.2 tmm? -63.78 -42.38 97.78 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.19 0.519 . . . . 0.0 109.944 -179.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 81' ' ' MET . . . . . 0.6 ' SD ' ' CE2' ' C' ' 20' ' ' PHE . 44.0 ttm -67.41 -43.89 80.15 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.205 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 60.0 t -63.54 -43.04 98.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.057 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 40.3 ttt180 -60.39 -46.29 90.5 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 120.912 0.387 . . . . 0.0 110.249 -179.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 84' ' ' CYS . . . . . . . . . . . . . 89.7 m -66.98 -38.27 85.74 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.875 179.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 16.3 ttt -58.79 -40.5 84.2 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 -178.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 68.6 mttm . . . . . 0 C--N 1.332 -0.183 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.426 179.129 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.176 0 CA-C-O 120.751 0.31 . . . . 0.0 110.721 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 27.4 ttt -61.78 -46.54 89.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.708 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 154' ' ' MET . . . . . . . . . . . . . 20.8 mmt -64.14 -40.13 95.51 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.813 0.34 . . . . 0.0 110.892 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 13.5 tm0? -60.81 -45.84 92.84 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.965 179.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.368 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.823 179.864 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.515 -0.366 0 CA-C-O 120.948 0.404 . . . . 0.0 109.949 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.29 -41.97 99.02 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.236 -0.586 . . . . 0.0 110.473 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 67.9 t -62.61 -47.99 90.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.865 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -68.54 -36.62 79.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.759 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -63.19 -38.23 90.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.581 -179.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 16.4 mt -55.98 147.39 19.87 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 71.7 p -73.72 165.29 25.37 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.582 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 56.8 mp0 -62.94 -38.31 90.53 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.206 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -64.61 -41.32 96.28 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.589 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -62.72 -43.64 98.27 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.095 0.474 . . . . 0.0 110.347 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -66.82 -37.61 84.84 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.425 178.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -60.32 -44.29 95.59 Favored 'General case' 0 N--CA 1.442 -0.853 0 C-N-CA 119.957 -0.697 . . . . 0.0 110.748 -179.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -63.43 -38.93 93.03 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.688 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -61.77 -43.39 98.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.285 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -62.78 -39.27 93.68 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.419 179.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.26 -43.78 95.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.492 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.58 -41.36 98.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.974 0.416 . . . . 0.0 109.997 179.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 24' ' ' PHE . . . . . 0.561 ' CD2' ' CE1' ' C' ' 74' ' ' PHE . 74.7 t80 -61.73 -44.53 96.74 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.397 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -59.81 -40.85 89.78 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.557 -179.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 96.7 mt -71.04 -40.92 76.43 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 CA-C-O 120.988 0.423 . . . . 0.0 110.689 179.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 27' ' ' PHE . . . . . 0.407 ' C ' ' H ' ' C' ' 29' ' ' LEU . 0.9 OUTLIER -55.62 -38.5 69.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 35.9 m -80.82 23.58 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.952 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 29' ' ' LEU . . . . . 0.407 ' H ' ' C ' ' C' ' 27' ' ' PHE . 1.7 pp -45.03 -39.72 5.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.009 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . -113.86 29.09 8.0 Favored Glycine 0 CA--C 1.531 1.04 0 C-N-CA 121.393 -0.432 . . . . 0.0 112.104 -179.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -130.83 95.86 3.94 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 117.229 0.515 . . . . 0.0 110.395 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -72.99 -14.5 61.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.058 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -73.23 -18.42 61.24 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.654 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.98 14.63 71.88 Favored Glycine 0 CA--C 1.523 0.589 0 C-N-CA 120.473 -0.87 . . . . 0.0 110.961 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 35' ' ' CYS . . . . . . . . . . . . . 21.5 p -128.47 168.32 15.81 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.755 0.312 . . . . 0.0 110.285 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 6.2 mm -119.84 132.24 70.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 121.325 0.583 . . . . 0.0 111.032 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 37' ' ' SER . . . . . 0.504 ' HG ' ' H ' ' C' ' 38' ' ' THR . 5.5 t -133.08 -165.28 1.59 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.347 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 38' ' ' THR . . . . . 0.504 ' H ' ' HG ' ' C' ' 37' ' ' SER . 73.2 p -64.07 -33.44 75.76 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 -179.401 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -61.53 -52.32 64.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.947 0.403 . . . . 0.0 110.813 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -63.59 -38.87 92.78 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.151 -0.62 . . . . 0.0 110.386 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.59 -39.52 93.99 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.509 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.58 -40.39 98.66 Favored Glycine 0 CA--C 1.525 0.683 0 C-N-CA 120.612 -0.804 . . . . 0.0 111.205 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -64.33 -40.49 95.99 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.272 0.558 . . . . 0.0 110.442 -179.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 77.0 t -67.23 -40.39 84.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.691 179.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 18.3 mtt -58.33 -31.14 67.28 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.856 -178.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -58.27 -37.69 75.48 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.102 -0.639 . . . . 0.0 109.657 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 28.0 ttt -67.14 -32.49 73.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.723 178.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 90.7 mt -80.74 -10.95 59.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.715 -179.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.64 30.31 40.35 Favored Glycine 0 CA--C 1.526 0.736 0 C-N-CA 120.768 -0.73 . . . . 0.0 111.444 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 76.2 mm-40 -124.63 143.87 50.48 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.93 0.395 . . . . 0.0 110.764 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -146.9 71.7 12.37 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.734 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -76.88 -167.94 0.52 Allowed 'Trans proline' 0 C--N 1.307 -1.619 0 C-N-CA 122.955 2.437 . . . . 0.0 112.002 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 1.2 p -94.9 155.74 38.82 Favored Pre-proline 0 C--N 1.323 -0.575 0 C-N-CA 120.349 -0.541 . . . . 0.0 111.443 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -55.13 -33.64 84.71 Favored 'Trans proline' 0 N--CA 1.498 1.778 0 C-N-CA 121.886 1.724 . . . . 0.0 112.399 179.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -63.12 -39.8 95.75 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 121.147 0.498 . . . . 0.0 110.514 -178.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -66.72 -41.23 88.27 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.156 -0.929 . . . . 0.0 109.65 -179.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 84.1 mt -64.02 -40.22 95.84 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.953 -1.022 . . . . 0.0 110.7 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -65.82 -42.5 90.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.037 -179.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -65.47 -38.93 91.24 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.023 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 4.9 mmm -58.17 -46.66 85.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.471 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.77 -39.21 84.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.552 179.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -59.3 -38.07 79.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.218 -179.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -60.09 -43.75 95.29 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.824 -0.35 . . . . 0.0 111.203 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 10.0 p -87.07 -30.82 5.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.035 0.445 . . . . 0.0 111.054 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 65' ' ' ASP . . . . . 0.475 ' OD2' ' N ' ' C' ' 69' ' ' SER . 64.4 t0 -83.35 109.41 17.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.831 -179.194 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -66.71 -41.25 88.27 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.067 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 67' ' ' ASP . . . . . 0.436 ' OD1' ' OD1' ' C' ' 65' ' ' ASP . 1.8 p30 -76.02 -13.5 60.23 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 120.665 -0.414 . . . . 0.0 111.158 -179.34 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 66.0 21.73 69.94 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 110.636 -0.986 . . . . 0.0 110.636 178.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 69' ' ' SER . . . . . 0.475 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 88.5 p -60.05 -20.74 59.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.767 0.318 . . . . 0.0 110.571 -179.204 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.31 3.18 90.19 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 179.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 82.3 p -128.12 157.15 41.55 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 47.6 t -116.43 126.03 73.71 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -100.85 -174.34 2.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.197 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 74' ' ' PHE . . . . . 0.561 ' CE1' ' CD2' ' C' ' 24' ' ' PHE . 23.3 m-85 -60.03 -46.84 88.19 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.233 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -63.58 -43.77 96.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.069 0.461 . . . . 0.0 110.588 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -66.97 -39.03 87.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.826 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -58.31 -49.12 78.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.727 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 6.5 mp -64.49 -41.04 96.7 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.33 -0.548 . . . . 0.0 110.553 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 75.2 t -65.38 -38.74 83.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.24 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 12.7 tmm? -62.32 -41.67 98.74 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.192 0.52 . . . . 0.0 110.013 -179.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 81' ' ' MET . . . . . 0.5 ' O ' ' SG ' ' C' ' 84' ' ' CYS . 1.5 tmt? -63.45 -48.09 79.17 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.561 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 75.1 t -68.1 -41.46 84.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.74 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 76.5 ttt-85 -59.31 -44.58 92.53 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.965 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 84' ' ' CYS . . . . . 0.558 ' SG ' ' N ' ' C' ' 85' ' ' MET . 9.6 p -65.19 -39.62 93.12 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.105 -179.604 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 85' ' ' MET . . . . . 0.558 ' N ' ' SG ' ' C' ' 84' ' ' CYS . 16.3 tpt -67.88 -42.1 81.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.781 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 64.4 tttm . . . . . 0 N--CA 1.45 -0.436 0 CA-C-O 120.942 0.401 . . . . 0.0 110.532 -179.615 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.533 0.206 . . . . 0.0 110.496 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 59.6 mtt -62.09 -44.15 97.3 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.913 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 154' ' ' MET . . . . . 0.575 ' SD ' ' N ' ' I' ' 154' ' ' MET . 0.0 OUTLIER -64.47 -42.97 95.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.854 0.359 . . . . 0.0 110.777 179.668 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -66.75 -40.99 88.5 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.446 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.188 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.736 179.759 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.535 0 N-CA-C 110.374 -0.232 . . . . 0.0 110.374 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.55 -44.09 95.17 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 119.788 -0.765 . . . . 0.0 110.12 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 65.5 t -67.81 -47.0 81.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.14 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 72.6 tt0 -61.6 -33.1 73.32 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.32 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 43.2 tp60 -60.48 -35.92 77.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.084 -179.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . 0.568 ' C ' ' HZ2' ' C' ' 17' ' ' LYS . 5.7 mp -50.24 170.69 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.439 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 59.0 p -99.05 163.53 12.54 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.222 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.54 -39.02 92.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.727 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -67.24 -45.02 77.99 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.634 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -61.52 -42.04 98.21 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 17' ' ' LYS . . . . . 0.568 ' HZ2' ' C ' ' C' ' 12' ' ' LEU . 17.6 mtmm -64.75 -37.64 88.28 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.058 178.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -60.79 -43.51 98.02 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 119.623 -0.831 . . . . 0.0 110.688 -178.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -65.43 -38.67 90.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.138 0.494 . . . . 0.0 110.73 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -62.87 -41.34 99.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.551 -179.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 5.4 tttp -62.22 -39.98 94.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.112 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.86 -41.24 95.5 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.548 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.01 -39.29 91.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.267 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 24' ' ' PHE . . . . . 0.621 ' CD2' ' CE1' ' C' ' 74' ' ' PHE . 82.2 t80 -58.74 -46.22 87.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.091 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -58.42 -45.17 88.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.403 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.59 -41.9 91.73 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 CA-C-O 121.078 0.466 . . . . 0.0 110.471 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -53.0 -39.43 63.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.829 -179.569 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 27.3 m -84.3 25.25 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.08 -179.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 1.7 pp -42.44 -42.19 3.17 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.509 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . -105.47 15.84 45.51 Favored Glycine 0 CA--C 1.53 1.017 0 C-N-CA 121.25 -0.5 . . . . 0.0 112.421 -179.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -117.46 102.68 9.41 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 117.307 0.553 . . . . 0.0 111.305 -179.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -71.39 -20.34 62.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.463 179.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -70.46 -19.25 62.98 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.491 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.77 11.15 82.11 Favored Glycine 0 CA--C 1.521 0.429 0 N-CA-C 110.601 -0.999 . . . . 0.0 110.601 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 35' ' ' CYS . . . . . . . . . . . . . 79.3 m -119.54 147.05 44.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.946 0.403 . . . . 0.0 110.649 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 96.7 mt -94.22 127.05 46.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.066 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 22.2 t -136.43 -164.87 1.63 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.153 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 73.2 p -63.64 -29.74 70.94 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.496 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 64.8 mmtt -62.22 -47.24 85.3 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.007 0.432 . . . . 0.0 110.763 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -68.49 -40.38 80.92 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 121.24 0.543 . . . . 0.0 110.306 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 1.6 mp -67.7 -34.91 77.81 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.025 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.44 -41.28 99.5 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -66.33 -40.96 90.22 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-O 121.265 0.555 . . . . 0.0 110.346 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 54.6 t -62.12 -45.34 98.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.743 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 19.8 mmt -61.57 -40.54 95.11 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.748 -179.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -62.99 -41.03 99.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.523 -179.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 61.0 ttp -62.23 -38.14 88.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.156 0.503 . . . . 0.0 110.238 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 89.6 mt -64.56 -17.69 64.17 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.514 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 93.47 14.76 52.77 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 26.4 mm100 -105.32 145.91 30.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.763 0.316 . . . . 0.0 110.158 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -134.89 66.64 68.98 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.542 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_endo -77.36 -171.56 1.2 Allowed 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 123.198 2.599 . . . . 0.0 111.934 179.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.02 153.66 41.8 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.059 -179.504 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -60.24 -28.99 88.01 Favored 'Trans proline' 0 N--CA 1.5 1.898 0 C-N-CA 122.762 2.308 . . . . 0.0 112.844 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -61.81 -37.24 83.69 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.374 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -66.28 -40.16 89.87 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.183 -179.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 11.0 mp -60.72 -41.85 96.12 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.157 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -67.29 -41.05 86.08 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.059 -0.656 . . . . 0.0 110.176 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -61.9 -39.98 93.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.04 -179.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 17.0 tpt -61.02 -46.21 91.68 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 96.4 mt -68.43 -39.67 81.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.681 179.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 62' ' ' ASP . . . . . 0.415 ' OD1' ' O ' ' C' ' 62' ' ' ASP . 65.2 t0 -55.71 -35.97 66.69 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.078 -179.141 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -57.11 -29.82 63.86 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.133 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 15.5 t -106.66 -30.97 2.56 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 65' ' ' ASP . . . . . 0.541 ' OD2' ' N ' ' C' ' 71' ' ' THR . 9.1 m-20 -81.44 91.58 6.33 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 121.093 0.473 . . . . 0.0 111.081 -179.511 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -63.95 -37.42 87.36 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.421 179.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 57.7 p30 -74.67 -11.41 60.17 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.005 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 69.57 14.96 70.3 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 110.756 -0.937 . . . . 0.0 110.756 179.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 96.9 p -61.82 -21.67 64.83 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 121.0 -0.28 . . . . 0.0 110.826 -179.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 79.97 12.34 83.5 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 71' ' ' THR . . . . . 0.541 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 60.4 p -128.4 154.05 46.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.887 0.375 . . . . 0.0 110.736 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 71.3 t -120.82 124.64 72.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.592 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -102.21 -172.05 2.07 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.354 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 74' ' ' PHE . . . . . 0.621 ' CE1' ' CD2' ' C' ' 24' ' ' PHE . 49.5 m-85 -60.17 -43.32 95.91 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.666 -0.414 . . . . 0.0 111.053 -179.701 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -64.35 -50.98 65.61 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.941 0.401 . . . . 0.0 110.809 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.87 -37.98 87.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.354 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -57.07 -48.36 78.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.935 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 90.1 mt -62.74 -40.75 98.19 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.251 -0.58 . . . . 0.0 110.302 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 67.2 t -65.55 -40.1 87.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.429 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 15.6 tmm? -62.57 -40.59 97.34 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-O 121.343 0.592 . . . . 0.0 110.049 -179.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 8.4 tpt -65.75 -45.01 84.21 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.451 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 63.9 t -64.8 -42.83 95.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.734 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 58.7 ttt85 -60.51 -43.65 96.84 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 121.018 0.437 . . . . 0.0 110.206 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 84' ' ' CYS . . . . . . . . . . . . . 89.3 m -62.78 -39.9 95.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.666 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 13.3 tpt -60.5 -42.61 96.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.647 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt . . . . . 0 C--N 1.332 -0.169 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.572 179.815 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.117 0 CA-C-O 120.87 0.366 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 14.6 tpt -60.91 -46.67 89.75 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 121.216 0.532 . . . . 0.0 110.478 -179.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 154' ' ' MET . . . . . . . . . . . . . 21.6 mmt -63.57 -41.11 98.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.234 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -65.18 -39.05 92.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.848 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.278 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.206 -179.508 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 -0.256 0 CA-C-O 120.664 0.268 . . . . 0.0 110.6 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.76 -43.4 98.9 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.031 -0.668 . . . . 0.0 110.08 -179.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 56.0 t -61.52 -47.54 92.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.252 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -65.83 -33.73 76.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.234 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -61.35 -36.62 80.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.258 -179.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 93.5 mt -39.58 147.71 0.08 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.039 0.447 . . . . 0.0 110.898 179.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 13' ' ' THR . . . . . 0.45 ' OG1' ' OE1' ' C' ' 16' ' ' GLN . 70.3 p -76.11 168.83 19.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.907 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -61.63 -28.9 69.7 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.619 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -71.54 -48.17 50.33 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.912 179.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 16' ' ' GLN . . . . . 0.45 ' OE1' ' OG1' ' C' ' 13' ' ' THR . 7.0 mp0 -61.8 -33.52 74.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.14 179.411 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.1 -41.59 34.7 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.95 178.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -64.7 -41.42 96.03 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.058 -0.657 . . . . 0.0 111.288 -179.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 19' ' ' GLU . . . . . 0.43 ' CD ' ' N ' ' C' ' 20' ' ' PHE . 3.0 pp20? -70.21 -38.75 75.35 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.293 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . 0.481 ' CD1' ' C ' ' C' ' 20' ' ' PHE . 0.0 OUTLIER -54.23 -51.26 65.02 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.691 179.351 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 21' ' ' LYS . . . . . 0.401 ' N ' ' CG ' ' C' ' 20' ' ' PHE . 13.0 tttm -59.45 -48.01 83.3 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.565 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.26 -41.41 99.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.077 0.465 . . . . 0.0 110.402 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.62 -39.73 94.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.782 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 24' ' ' PHE . . . . . 0.619 ' CD2' ' CE1' ' C' ' 74' ' ' PHE . 50.5 t80 -60.82 -42.55 97.91 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.148 -179.3 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -59.95 -44.4 94.43 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.961 0.41 . . . . 0.0 110.416 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 97.3 mt -67.34 -41.55 86.52 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.635 0 CA-C-O 121.259 0.552 . . . . 0.0 110.265 178.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.51 -41.16 76.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.805 -179.649 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 26.4 m -89.46 28.61 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.046 -179.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 29' ' ' LEU . . . . . 0.415 ' HG ' ' H ' ' C' ' 30' ' ' GLY . 2.1 pp -43.06 -41.77 3.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.22 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 30' ' ' GLY . . . . . 0.415 ' H ' ' HG ' ' C' ' 29' ' ' LEU . . . -107.1 15.55 39.69 Favored Glycine 0 CA--C 1.525 0.676 0 C-N-CA 121.376 -0.44 . . . . 0.0 112.075 -178.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -125.01 86.08 2.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.32 0.581 . . . . 0.0 110.44 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -65.5 -22.91 66.78 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.305 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -69.96 -17.6 63.32 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.383 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 84.57 18.33 62.22 Favored Glycine 0 CA--C 1.52 0.347 0 N-CA-C 110.759 -0.936 . . . . 0.0 110.759 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 35' ' ' CYS . . . . . . . . . . . . . 74.6 m -118.61 143.34 46.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.674 0.273 . . . . 0.0 110.298 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 65.8 mt -114.72 123.86 70.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.847 -179.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 2.1 m -134.29 -167.82 2.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.829 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 67.6 p -64.76 -27.03 68.62 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.4 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 39' ' ' LYS . . . . . 0.435 ' CG ' ' N ' ' C' ' 40' ' ' GLU . 54.9 pttt -62.74 -40.75 98.21 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.846 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 40' ' ' GLU . . . . . 0.435 ' N ' ' CG ' ' C' ' 39' ' ' LYS . 0.7 OUTLIER -84.31 -38.19 20.72 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.017 0.436 . . . . 0.0 110.537 179.642 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.05 -24.23 62.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.194 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.14 -34.8 81.31 Favored Glycine 0 CA--C 1.529 0.915 0 N-CA-C 110.56 -1.016 . . . . 0.0 110.56 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -84.7 -35.85 22.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.011 0.434 . . . . 0.0 110.82 179.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 79.9 t -62.52 -45.23 99.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.723 -179.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 20.6 ptt? -64.87 -32.36 74.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.137 -179.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 9.5 tmm_? -61.01 -45.13 96.04 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.273 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 59.9 ttm -61.34 -40.91 96.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.107 0.479 . . . . 0.0 109.959 179.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 96.3 mt -68.86 -8.64 45.71 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.737 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.98 24.35 64.43 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 60.8 mm-40 -115.86 133.15 56.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.836 0.35 . . . . 0.0 110.566 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 33.2 m120 -130.23 68.21 80.84 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.107 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -73.78 -171.07 0.78 Allowed 'Trans proline' 0 C--N 1.307 -1.605 0 C-N-CA 122.803 2.335 . . . . 0.0 111.534 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 53' ' ' THR . . . . . 0.481 ' H ' ' HG1' ' C' ' 53' ' ' THR . 1.2 p -94.96 156.68 37.7 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.194 -179.584 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -52.92 -38.47 79.26 Favored 'Trans proline' 0 N--CA 1.503 2.056 0 C-N-CA 122.227 1.951 . . . . 0.0 113.131 179.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -62.52 -37.91 87.91 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-O 121.275 0.56 . . . . 0.0 111.101 -178.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -65.93 -41.88 90.81 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.87 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 96.1 mt -62.82 -40.44 97.38 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.085 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -64.93 -43.11 93.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.27 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -65.26 -37.93 88.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.012 179.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 67.5 mtp -59.62 -44.72 93.36 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.441 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 97.1 mt -70.83 -42.17 77.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.663 179.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -57.11 -37.04 71.39 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.216 -179.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -62.42 -41.74 98.92 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 33.3 m -97.29 -12.41 8.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 C-N-CA 120.547 -0.461 . . . . 0.0 111.382 -179.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 65' ' ' ASP . . . . . 0.529 ' OD2' ' N ' ' C' ' 69' ' ' SER . 66.4 t0 -75.52 127.06 32.26 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.892 0.377 . . . . 0.0 110.756 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -79.43 -27.6 41.7 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.022 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.19 -11.47 17.24 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.486 -179.554 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 68' ' ' GLY . . . . . 0.522 ' H ' ' CG ' ' C' ' 65' ' ' ASP . . . 69.09 15.09 69.25 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.616 -0.994 . . . . 0.0 110.616 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 69' ' ' SER . . . . . 0.529 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 90.3 p -62.36 -20.31 64.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.677 0.275 . . . . 0.0 110.663 -179.498 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 91.75 7.96 64.14 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 72.4 p -129.67 155.48 45.79 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.745 0.307 . . . . 0.0 110.524 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 72.8 t -122.17 123.26 68.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.563 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -106.83 -167.52 1.29 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.012 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 74' ' ' PHE . . . . . 0.619 ' CE1' ' CD2' ' C' ' 24' ' ' PHE . 38.1 m-85 -60.49 -47.75 84.79 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -179.354 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -64.37 -44.77 90.35 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.046 0.45 . . . . 0.0 111.064 -179.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -67.2 -39.62 86.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.297 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -59.92 -47.61 85.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.872 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 84.5 mt -62.21 -41.93 98.83 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.47 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 66.7 t -66.11 -40.43 87.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.357 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 14.7 tmm? -63.41 -39.68 95.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.226 0.536 . . . . 0.0 110.087 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -66.39 -48.0 71.51 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.259 -179.622 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 78.9 t -66.59 -40.7 86.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.035 179.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 50.3 ttt85 -59.65 -43.61 93.85 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 120.904 0.383 . . . . 0.0 110.275 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 84' ' ' CYS . . . . . . . . . . . . . 53.8 t -59.69 -48.86 80.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.525 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 27.0 ttt -63.68 -45.17 91.28 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.632 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 27.5 ttpp . . . . . 0 N--CA 1.451 -0.41 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.969 179.878 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.361 0 CA-C-O 120.7 0.286 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 2.9 ptt? -68.91 -34.66 75.76 Favored 'General case' 0 C--O 1.232 0.148 0 C-N-CA 120.33 -0.548 . . . . 0.0 109.956 -179.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 154' ' ' MET . . . . . . . . . . . . . 56.0 mtt -62.05 -41.62 98.33 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.441 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -63.64 -41.19 98.27 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.59 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 C-N-CA 120.341 -0.544 . . . . 0.0 110.93 -179.698 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 -0.251 0 CA-C-O 120.71 0.291 . . . . 0.0 110.753 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.43 -43.08 97.14 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.315 -0.554 . . . . 0.0 110.485 -178.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 54.5 t -64.74 -48.71 83.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.289 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.69 -32.4 73.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.423 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -60.39 -25.05 65.6 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.467 -179.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 90.3 mt -56.95 134.73 55.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.999 0.428 . . . . 0.0 110.494 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 66.2 p -78.83 167.46 21.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.407 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -61.12 -39.53 90.35 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.968 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 60.8 mp0 -66.03 -39.88 90.58 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.545 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 79.9 mm-40 -61.92 -42.03 98.63 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.3 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 43.1 mttp -66.74 -37.4 84.57 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.104 179.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -61.86 -41.0 97.29 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 119.846 -0.741 . . . . 0.0 110.535 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -63.76 -37.46 87.43 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.491 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -62.32 -41.7 98.76 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.097 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 21.1 ttmt -60.68 -41.61 95.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.699 178.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.62 -43.69 93.71 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.384 -0.526 . . . . 0.0 110.365 -179.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.37 -41.69 98.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.199 179.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -62.97 -42.12 99.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.609 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -59.77 -41.02 90.17 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.115 0.483 . . . . 0.0 110.218 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 96.4 mt -73.19 -39.69 56.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.13 0.49 . . . . 0.0 110.232 178.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 27' ' ' PHE . . . . . 0.423 ' C ' ' H ' ' C' ' 29' ' ' LEU . 0.5 OUTLIER -54.66 -37.55 65.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.94 -179.481 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 27.8 m -78.33 19.73 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.272 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 29' ' ' LEU . . . . . 0.423 ' H ' ' C ' ' C' ' 27' ' ' PHE . 2.4 pp -42.96 -39.82 2.74 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.101 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . -114.34 27.3 9.05 Favored Glycine 0 CA--C 1.527 0.82 0 C-N-CA 121.385 -0.436 . . . . 0.0 112.077 -179.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 31' ' ' ALA . . . . . 0.475 ' N ' ' OE1' ' C' ' 40' ' ' GLU . . . -133.79 97.56 3.94 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 117.061 0.431 . . . . 0.0 110.769 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -71.85 -17.05 62.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.504 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -75.02 -16.41 60.61 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.754 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.25 19.03 63.33 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 35' ' ' CYS . . . . . . . . . . . . . 30.7 p -138.52 157.83 45.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.927 0.394 . . . . 0.0 110.207 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . 0.402 ' CD1' ' N ' ' C' ' 36' ' ' ILE . 1.4 mm -99.79 129.92 49.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.987 0.422 . . . . 0.0 109.958 -179.304 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 39.2 t -138.39 178.95 6.76 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.734 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 68.4 p -58.28 -26.45 62.99 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.295 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 5.4 tmtp? -65.35 -57.1 9.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.501 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 40' ' ' GLU . . . . . 0.475 ' OE1' ' N ' ' C' ' 31' ' ' ALA . 34.2 tt0 -66.52 -39.73 88.8 Favored 'General case' 0 C--N 1.333 -0.123 0 C-N-CA 120.566 -0.454 . . . . 0.0 111.175 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 1.7 tp -57.26 -32.01 66.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.702 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.96 -39.96 97.75 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 -179.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp -71.61 -40.96 69.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.302 0.572 . . . . 0.0 110.542 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 74.9 t -64.57 -44.25 96.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.392 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 20.0 mmt -62.39 -39.39 93.04 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.794 -179.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 4.6 mtm180 -59.88 -41.06 90.75 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.524 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 16.1 tpt -62.72 -38.49 90.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.101 0.477 . . . . 0.0 110.24 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 96.4 mt -65.07 -23.14 67.08 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.506 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.92 20.62 10.41 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.286 -0.726 . . . . 0.0 111.286 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 28.6 mm100 -121.91 144.79 48.65 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.824 0.345 . . . . 0.0 110.443 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -130.21 70.29 82.18 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.478 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -75.48 -166.32 0.35 Allowed 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 122.927 2.418 . . . . 0.0 111.335 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 17.2 p -120.13 152.56 54.65 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.227 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -47.86 -39.73 31.88 Favored 'Trans proline' 0 N--CA 1.496 1.663 0 C-N-CA 122.036 1.824 . . . . 0.0 112.371 179.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -61.18 -42.91 99.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.968 0.413 . . . . 0.0 111.174 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -64.88 -41.36 95.7 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.429 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 89.7 mt -66.97 -38.92 86.96 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.207 -179.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.15 -40.86 97.07 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.403 -179.719 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.79 -43.97 97.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.922 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 60.6 mtt -62.89 -43.67 98.18 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.05 0.452 . . . . 0.0 110.466 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 92.2 mt -65.08 -39.06 84.36 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.735 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -58.46 -40.89 83.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.351 -179.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -64.43 -41.43 96.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.957 0.408 . . . . 0.0 110.58 178.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 96.7 t -76.73 -33.01 21.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.858 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 65' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -84.86 120.26 26.26 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.93 0.395 . . . . 0.0 111.015 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 25.9 pt-20 -78.14 -20.97 51.0 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.601 179.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 45.7 p30 -98.51 -8.89 25.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.274 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 67.29 20.74 71.62 Favored Glycine 0 CA--C 1.52 0.387 0 N-CA-C 110.527 -1.029 . . . . 0.0 110.527 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 92.2 p -59.09 -33.14 70.48 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.82 -179.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 95.87 -0.13 62.49 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 72.6 p -136.74 161.22 36.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.67 0.271 . . . . 0.0 110.632 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 95.5 t -111.41 119.43 59.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.363 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 56.4 p30 -98.22 -172.3 2.32 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.462 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.8 -51.47 68.83 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.683 -179.655 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -61.99 -45.51 93.32 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.233 -179.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -68.31 -31.28 70.59 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.521 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -65.46 -46.71 78.78 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.8 178.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.99 -49.26 78.36 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.605 -178.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 35.7 m -67.26 -30.11 48.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.1 -179.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 80' ' ' MET . . . . . 0.424 ' O ' ' SG ' ' C' ' 84' ' ' CYS . 65.4 ttp -63.55 -42.36 98.37 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 17.4 tpt -66.36 -46.29 77.24 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.773 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 75.9 t -64.57 -46.72 91.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.136 -179.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -63.39 -41.04 98.75 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.686 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 84' ' ' CYS . . . . . 0.424 ' SG ' ' O ' ' C' ' 80' ' ' MET . 96.1 m -65.19 -40.42 94.2 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.677 179.631 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 27.9 ttt -60.8 -48.62 80.96 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.851 -179.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 13.6 pttp . . . . . 0 C--N 1.332 -0.191 0 CA-C-O 120.954 0.407 . . . . 0.0 110.63 -179.906 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.178 0 CA-C-O 120.854 0.359 . . . . 0.0 110.477 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 5.9 tpt -62.17 -44.54 96.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.306 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 154' ' ' MET . . . . . . . . . . . . . 32.4 mmt -64.23 -38.82 92.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.767 179.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -60.26 -43.16 96.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.243 -179.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.515 179.516 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' C' ' 11' ' ' GLN . . . . . . . . 0 C--O 1.223 -0.296 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.21 -40.53 90.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.053 0.454 . . . . 0.0 110.315 -179.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 54.6 t -61.42 -45.44 98.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.492 179.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -75.75 -31.89 59.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.678 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 11' ' ' GLN . . . . . 0.452 ' O ' ' C ' ' C' ' 12' ' ' LEU . 41.1 tp60 -63.15 -29.94 71.19 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.723 -178.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . 0.452 ' C ' ' O ' ' C' ' 11' ' ' GLN . 0.9 OUTLIER -31.84 133.77 0.09 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.966 0.413 . . . . 0.0 111.204 -179.275 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 71.6 p -77.93 165.51 24.01 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.621 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.61 -38.49 84.87 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.435 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -63.97 -44.03 93.97 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.787 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -63.29 -40.7 98.1 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.265 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 46.9 mttp -64.15 -39.4 93.93 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.408 179.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -62.6 -48.13 80.77 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 119.942 -0.703 . . . . 0.0 110.945 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.17 -38.63 91.76 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.632 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . 0.507 ' CD2' ' SD ' ' C' ' 81' ' ' MET . 3.7 m-30 -63.61 -43.04 98.06 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.995 -178.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 23.4 mtpp -64.15 -38.22 90.26 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.657 178.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.67 -44.59 93.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.902 0.382 . . . . 0.0 110.284 -179.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.6 -38.45 91.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.334 178.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 24' ' ' PHE . . . . . 0.488 ' CE2' ' CZ ' ' C' ' 74' ' ' PHE . 83.8 t80 -57.76 -46.19 84.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.062 -179.599 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -60.65 -39.9 90.01 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.971 0.415 . . . . 0.0 110.253 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 95.2 mt -68.51 -40.0 81.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.956 0.408 . . . . 0.0 110.864 179.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -58.14 -39.27 78.33 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.099 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . 0.474 ' C ' ' H ' ' C' ' 30' ' ' GLY . 28.9 m -79.89 19.38 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 120.912 -0.315 . . . . 0.0 111.09 -179.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 3.1 pp -55.51 -7.94 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.655 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 30' ' ' GLY . . . . . 0.474 ' H ' ' C ' ' C' ' 28' ' ' VAL . . . -119.78 6.52 12.37 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -179.545 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -130.71 126.96 37.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.886 0.374 . . . . 0.0 110.535 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 32' ' ' GLU . . . . . 0.4 ' OE1' ' N ' ' C' ' 32' ' ' GLU . 47.2 mp0 -85.32 -21.43 28.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.607 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -75.31 -18.67 59.98 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.502 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.16 6.0 63.44 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 35' ' ' CYS . . . . . . . . . . . . . 84.9 m -104.99 149.89 25.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.603 0.239 . . . . 0.0 110.491 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 67.7 mt -101.67 121.11 52.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 50.0 m -116.22 -167.24 1.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.152 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 40.3 p -62.08 -30.92 71.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.593 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -61.58 -47.7 84.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.014 0.435 . . . . 0.0 110.817 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 36.0 mp0 -64.01 -40.75 97.04 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.537 0.684 . . . . 0.0 110.296 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 41' ' ' LEU . . . . . 0.459 ' O ' ' SD ' ' C' ' 45' ' ' MET . 2.2 mm? -66.45 -33.41 75.63 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.983 179.296 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.73 -39.11 96.22 Favored Glycine 0 CA--C 1.52 0.374 0 N-CA-C 110.684 -0.966 . . . . 0.0 110.684 179.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -66.05 -40.25 90.79 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.192 0.52 . . . . 0.0 110.016 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 56.9 t -61.15 -44.75 98.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.374 179.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 45' ' ' MET . . . . . 0.607 ' SD ' ' N ' ' C' ' 45' ' ' MET . 0.0 OUTLIER -61.43 -39.94 92.65 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.734 -179.363 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 46.5 mtt-85 -60.5 -40.94 93.17 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.35 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 97.9 mtp -64.69 -37.0 86.11 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.58 179.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 96.0 mt -74.83 -5.77 45.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.457 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 82.94 20.51 61.01 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 -116.94 141.79 47.77 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.829 0.347 . . . . 0.0 110.357 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -133.69 74.54 70.04 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.374 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -78.3 -170.2 0.93 Allowed 'Trans proline' 0 C--N 1.306 -1.689 0 C-N-CA 122.966 2.444 . . . . 0.0 112.09 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -99.23 154.05 37.49 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.434 -179.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -64.07 -26.54 65.66 Favored 'Trans proline' 0 C--N 1.303 -1.846 0 C-N-CA 121.764 1.643 . . . . 0.0 112.609 179.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -64.35 -50.51 67.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.129 0.49 . . . . 0.0 111.173 -178.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.29 -32.09 71.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.089 -179.291 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 81.0 mt -64.03 -39.49 94.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.331 178.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -65.68 -40.22 92.12 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.218 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -61.82 -39.09 90.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.447 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 97.0 mtp -61.85 -41.45 97.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.43 179.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 88.5 mt -62.09 -43.05 97.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.092 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -61.35 -40.12 93.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.995 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.04 -45.58 92.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.864 -179.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 10.7 p -82.88 -30.53 8.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.789 0.328 . . . . 0.0 110.839 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 65' ' ' ASP . . . . . 0.501 ' OD2' ' N ' ' C' ' 69' ' ' SER . 64.3 t0 -80.93 109.22 15.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.069 0.462 . . . . 0.0 110.734 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -64.85 -40.42 95.12 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.556 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 67' ' ' ASP . . . . . 0.453 ' OD1' ' OD1' ' C' ' 65' ' ' ASP . 1.4 p30 -80.35 -14.39 58.39 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.984 -179.67 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 64.96 24.09 69.89 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 178.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 69' ' ' SER . . . . . 0.501 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 86.4 p -59.24 -20.39 53.73 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.732 -179.159 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 98.22 -6.59 61.69 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 66.2 p -136.17 161.92 34.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.629 0.252 . . . . 0.0 110.488 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 47.8 t -102.69 128.35 55.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -105.06 -169.85 1.67 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.13 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 74' ' ' PHE . . . . . 0.488 ' CZ ' ' CE2' ' C' ' 24' ' ' PHE . 47.2 m-85 -60.71 -45.75 93.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.43 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.69 -53.8 52.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.141 0.495 . . . . 0.0 111.341 -179.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . 0.451 ' OE2' ' OD1' ' C' ' 65' ' ' ASP . 94.2 mt-10 -64.83 -38.24 90.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.092 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -57.94 -46.37 85.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.803 179.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 76.5 mt -59.65 -41.84 91.45 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.331 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 66.1 t -66.23 -38.48 82.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.108 179.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 59.1 ttp -60.59 -41.66 95.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.107 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 81' ' ' MET . . . . . 0.507 ' SD ' ' CD2' ' C' ' 20' ' ' PHE . 1.0 OUTLIER -66.98 -47.45 71.52 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.82 -179.138 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 73.1 t -64.63 -43.65 96.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.577 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 59.2 ttt85 -61.27 -43.63 98.56 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 120.808 0.337 . . . . 0.0 110.833 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 84' ' ' CYS . . . . . . . . . . . . . 90.2 m -61.61 -41.57 97.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.159 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 47.3 tpp -63.03 -45.68 91.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.367 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 63.6 tttm . . . . . 0 N--CA 1.452 -0.36 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.446 -179.795 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.232 0 CA-C-O 120.754 0.311 . . . . 0.0 110.488 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 40.7 ttp -70.34 -43.16 70.8 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.616 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 154' ' ' MET . . . . . . . . . . . . . 4.5 tpp -61.83 -21.01 64.27 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.37 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -56.05 -41.25 74.75 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.628 -0.429 . . . . 0.0 109.864 -178.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 120.847 0.356 . . . . 0.0 110.455 178.868 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 -0.26 0 CA-C-O 120.671 0.272 . . . . 0.0 110.487 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.97 -42.9 99.64 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.123 -0.631 . . . . 0.0 109.897 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 54.1 t -61.91 -46.82 95.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.533 179.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -68.97 -29.5 67.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.189 179.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 11' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' C' ' 12' ' ' LEU . 50.5 tt0 -61.8 -37.84 85.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.679 -179.65 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' C' ' 11' ' ' GLN . 88.0 mt -38.34 142.01 0.21 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.915 0.388 . . . . 0.0 110.692 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 74.9 p -72.73 163.2 28.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.897 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 14' ' ' GLU . . . . . 0.407 ' O ' ' OD1' ' C' ' 18' ' ' ASN . 24.9 pt-20 -64.49 -34.17 77.59 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.75 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -66.32 -43.43 86.24 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.016 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -63.92 -41.4 97.66 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.039 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -63.98 -39.98 95.37 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.636 179.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 18' ' ' ASN . . . . . 0.407 ' OD1' ' O ' ' C' ' 14' ' ' GLU . 27.9 m120 -63.75 -39.18 93.65 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 119.781 -0.768 . . . . 0.0 111.158 -179.635 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -62.39 -41.06 98.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.882 0.372 . . . . 0.0 111.522 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -70.27 -37.21 74.83 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.405 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -58.83 -45.17 90.64 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.91 -42.99 99.73 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.404 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.01 -41.12 95.94 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.118 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 24' ' ' PHE . . . . . 0.48 ' CD1' ' CZ ' ' C' ' 74' ' ' PHE . 42.3 t80 -59.11 -44.71 92.0 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.385 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -58.94 -41.89 88.49 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.109 -178.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 17.1 pt -83.78 -20.98 8.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.972 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 27' ' ' PHE . . . . . 0.471 ' C ' ' H ' ' C' ' 29' ' ' LEU . 0.5 OUTLIER -62.97 -41.65 99.6 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.195 -0.602 . . . . 0.0 109.69 179.246 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 14.1 m -73.2 18.86 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.67 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 29' ' ' LEU . . . . . 0.471 ' H ' ' C ' ' C' ' 27' ' ' PHE . 2.3 pp -42.91 -44.53 4.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.781 0.324 . . . . 0.0 111.225 179.603 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 30' ' ' GLY . . . . . 0.425 ' H ' ' HG ' ' C' ' 29' ' ' LEU . . . -103.78 14.72 53.0 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.54 -0.624 . . . . 0.0 111.54 -179.378 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -120.99 97.71 5.66 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.153 0.501 . . . . 0.0 110.278 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -74.26 -12.42 60.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.994 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -79.84 -17.8 52.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.621 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.37 5.74 84.75 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 35' ' ' CYS . . . . . . . . . . . . . 80.3 m -126.94 151.65 48.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.683 0.277 . . . . 0.0 110.358 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 5.8 mm -86.09 120.35 35.81 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.189 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 40.2 m -129.36 -178.71 4.78 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.017 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 68.6 p -60.8 -29.56 69.53 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.877 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -62.57 -48.49 79.25 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.65 -0.42 . . . . 0.0 111.137 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 40' ' ' GLU . . . . . 0.458 ' OE2' ' O ' ' C' ' 27' ' ' PHE . 2.3 tt0 -70.69 -39.97 73.18 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-O 121.155 0.502 . . . . 0.0 111.159 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.33 -31.89 67.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.902 -179.221 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 42' ' ' GLY . . . . . 0.494 ' O ' ' NH1' ' C' ' 46' ' ' ARG . . . -61.71 -38.13 95.4 Favored Glycine 0 CA--C 1.527 0.838 0 N-CA-C 111.368 -0.693 . . . . 0.0 111.368 179.6 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.97 -41.49 74.38 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.343 0.592 . . . . 0.0 110.262 -179.142 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 69.2 t -62.71 -43.04 98.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.333 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 22.2 mmt -61.46 -40.02 92.98 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.154 -179.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 46' ' ' ARG . . . . . 0.494 ' NH1' ' O ' ' C' ' 42' ' ' GLY . 82.6 mtt85 -61.77 -39.85 93.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.792 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 21.0 ttt -64.1 -37.28 86.88 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.138 0.494 . . . . 0.0 110.086 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 96.1 mt -73.35 -9.08 58.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.618 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 88.52 16.37 58.75 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.291 -0.723 . . . . 0.0 111.291 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -104.15 150.51 24.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.831 0.348 . . . . 0.0 110.251 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 53.4 p30 -132.23 63.34 67.93 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.403 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -73.3 -170.5 0.66 Allowed 'Trans proline' 0 C--N 1.303 -1.844 0 C-N-CA 122.771 2.314 . . . . 0.0 111.796 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -119.23 154.14 53.6 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.241 -179.512 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo -63.39 -27.93 71.29 Favored 'Trans proline' 0 N--CA 1.494 1.552 0 C-N-CA 122.131 1.887 . . . . 0.0 112.66 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -63.96 -49.0 74.25 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.384 0.612 . . . . 0.0 111.068 -178.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -70.92 -34.63 71.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.166 -0.924 . . . . 0.0 110.422 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 77.4 mt -63.81 -39.64 94.73 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.925 179.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 22.0 tm0? -63.95 -42.94 97.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.625 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -62.23 -38.65 90.04 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.619 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 28.4 ttt -59.5 -46.68 88.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.327 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.76 -40.53 89.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.2 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -59.37 -32.62 70.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.003 -179.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -59.56 -43.52 93.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.893 -179.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 12.5 m -92.17 -28.71 4.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.593 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 65' ' ' ASP . . . . . 0.453 ' OD2' ' N ' ' C' ' 69' ' ' SER . 53.4 t0 -77.63 110.69 12.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.04 0.448 . . . . 0.0 110.386 -179.435 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 58.0 mp0 -67.02 -39.68 87.08 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.767 -179.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 67' ' ' ASP . . . . . 0.431 ' OD1' ' OD1' ' C' ' 65' ' ' ASP . 1.6 p30 -76.71 -13.47 60.04 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.923 -179.521 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 66.54 18.08 67.44 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.51 -1.036 . . . . 0.0 110.51 178.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 69' ' ' SER . . . . . 0.453 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 95.7 p -61.08 -21.5 63.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.686 0.279 . . . . 0.0 110.639 -179.214 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.01 11.24 79.27 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 73.0 p -133.9 157.16 46.68 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 30.6 t -121.93 123.64 69.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 57.2 p30 -97.44 -169.77 1.9 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.407 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 74' ' ' PHE . . . . . 0.48 ' CZ ' ' CD1' ' C' ' 24' ' ' PHE . 25.1 m-85 -60.11 -48.89 79.84 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.59 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -63.25 -45.14 92.93 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.301 -179.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.59 -36.36 80.75 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -57.6 -47.67 81.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.211 179.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -61.85 -39.29 91.33 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.14 -0.624 . . . . 0.0 110.368 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 53.8 t -62.83 -41.93 94.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.193 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 17.0 tmm? -70.14 -37.47 75.28 Favored 'General case' 0 C--N 1.313 -0.987 0 C-N-CA 120.332 -0.547 . . . . 0.0 109.952 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 10.6 tpt -64.71 -49.03 72.48 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.191 -178.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 82' ' ' VAL . . . . . 0.427 ' CG1' ' N ' ' C' ' 83' ' ' ARG . 5.3 p -67.59 -39.6 82.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.925 0.393 . . . . 0.0 110.295 -179.519 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 83' ' ' ARG . . . . . 0.427 ' N ' ' CG1' ' C' ' 82' ' ' VAL . 40.1 ttt180 -61.35 -41.01 96.36 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.494 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 84' ' ' CYS . . . . . . . . . . . . . 98.5 m -61.78 -41.5 97.79 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.56 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 88.7 mmm -62.98 -41.21 99.5 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.476 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 50.6 mtpt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.188 -179.909 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.719 0.295 . . . . 0.0 110.726 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 3.8 mmt -62.88 -45.01 94.55 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.978 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 154' ' ' MET . . . . . . . . . . . . . 91.3 mmm -70.88 -34.04 71.2 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.375 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -58.8 -46.64 87.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.28 -179.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.527 0 CA-C-O 121.036 0.446 . . . . 0.0 109.975 178.557 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 -0.35 0 CA-C-O 120.792 0.33 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.31 -42.6 99.5 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.172 -0.611 . . . . 0.0 110.373 -179.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . 0.466 ' CG1' ' HZ2' ' C' ' 17' ' ' LYS . 53.1 t -61.84 -47.89 91.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.156 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -70.12 -33.74 72.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.018 0.437 . . . . 0.0 110.603 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 20.1 tm0? -62.48 -39.26 92.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.181 -179.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 43.7 mt -58.73 145.91 38.61 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.943 0.401 . . . . 0.0 110.774 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 13' ' ' THR . . . . . 0.448 ' OG1' ' OE1' ' C' ' 16' ' ' GLN . 65.0 p -70.86 167.43 18.97 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.657 -179.52 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -62.46 -38.33 89.39 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.18 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.95 -45.85 91.89 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.752 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 16' ' ' GLN . . . . . 0.45 ' O ' ' CD2' ' C' ' 20' ' ' PHE . 4.2 mp0 -60.88 -43.45 98.44 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.534 -0.466 . . . . 0.0 110.156 179.417 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 17' ' ' LYS . . . . . 0.466 ' HZ2' ' CG1' ' C' ' 9' ' ' VAL . 14.6 mmmt -64.49 -40.21 95.24 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.544 179.294 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -63.9 -40.24 96.05 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 120.407 -0.517 . . . . 0.0 111.591 -179.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -61.9 -43.01 99.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.179 0.514 . . . . 0.0 111.099 -179.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . 0.45 ' CD2' ' O ' ' C' ' 16' ' ' GLN . 18.3 m-85 -70.6 -40.25 73.33 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.134 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -60.09 -40.7 90.48 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.942 179.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.73 -42.47 97.37 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.159 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.95 -40.04 94.19 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.314 179.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -59.58 -44.96 93.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.067 179.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -59.29 -39.74 83.94 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.908 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 95.4 mt -68.85 -40.71 81.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.909 0.385 . . . . 0.0 110.721 178.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 27' ' ' PHE . . . . . 0.417 ' C ' ' H ' ' C' ' 29' ' ' LEU . 4.8 m-85 -56.01 -39.8 72.45 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.629 -0.429 . . . . 0.0 111.262 -179.681 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 31.4 m -78.21 21.71 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.009 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 29' ' ' LEU . . . . . 0.417 ' H ' ' C ' ' C' ' 27' ' ' PHE . 1.7 pp -45.55 -29.35 1.15 Allowed 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.824 179.435 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . -129.38 34.78 2.72 Favored Glycine 0 CA--C 1.528 0.896 0 C-N-CA 121.114 -0.565 . . . . 0.0 112.329 -179.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -124.16 107.22 11.01 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.948 0.404 . . . . 0.0 110.984 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -71.74 -29.32 64.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.827 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 53.6 p-10 -71.93 -15.95 62.1 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.707 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 81.49 18.44 68.61 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 35' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -124.19 165.19 18.02 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.728 0.299 . . . . 0.0 110.461 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 87.8 mt -106.03 127.37 61.2 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.152 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 4.6 t -131.97 -165.47 1.59 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.045 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 77.3 p -65.97 -25.65 67.2 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.31 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -66.43 -50.68 62.57 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.189 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 60.2 mp0 -66.24 -42.83 88.05 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 121.076 0.465 . . . . 0.0 110.95 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 18.8 mt -67.92 -36.25 79.86 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.259 179.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.12 -40.22 96.87 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -70.1 -40.52 74.89 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.099 0.476 . . . . 0.0 110.734 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 71.8 t -62.78 -46.53 96.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.843 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 76.2 mtp -63.85 -38.2 90.21 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 120.103 -0.639 . . . . 0.0 110.167 -179.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 24.7 tpt85 -59.77 -43.34 94.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.363 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 7.4 tpt -61.23 -38.14 85.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.981 0.42 . . . . 0.0 110.2 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 82.7 mt -64.92 -15.53 62.2 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.663 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 98.6 11.11 48.58 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -98.37 145.69 26.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.982 0.42 . . . . 0.0 110.579 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -129.88 68.91 81.37 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.278 179.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -75.68 -167.85 0.48 Allowed 'Trans proline' 0 C--N 1.307 -1.617 0 C-N-CA 122.939 2.426 . . . . 0.0 111.195 179.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 47.0 p -122.39 151.66 59.78 Favored Pre-proline 0 CA--C 1.535 0.377 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -49.1 -32.82 25.24 Favored 'Trans proline' 0 N--CA 1.496 1.644 0 C-N-CA 122.046 1.831 . . . . 0.0 112.606 179.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -62.68 -41.74 99.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.133 0.492 . . . . 0.0 110.46 -178.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -65.99 -45.2 82.47 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.629 -179.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 11.0 mp -65.2 -40.1 93.72 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.401 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -63.52 -43.93 95.73 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.578 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -65.77 -39.36 90.92 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.722 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 74.7 mtp -58.04 -46.63 85.03 Favored 'General case' 0 CA--C 1.516 -0.352 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.892 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 61' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' C' ' 65' ' ' ASP . 96.7 mt -66.73 -40.37 85.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 C-N-CA 120.135 -0.626 . . . . 0.0 110.716 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -59.51 -44.96 92.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.966 -179.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -63.69 -41.33 98.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.854 0.359 . . . . 0.0 110.899 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 90.9 t -78.9 -32.91 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.84 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 65' ' ' ASP . . . . . 0.532 ' OD2' ' N ' ' C' ' 69' ' ' SER . 49.2 t0 -85.5 113.83 22.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.677 -179.344 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -73.2 -35.84 66.43 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.703 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 67' ' ' ASP . . . . . 0.425 ' OD1' ' OD1' ' C' ' 65' ' ' ASP . 0.5 OUTLIER -76.74 -12.46 59.99 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.185 -179.69 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 67.71 19.33 71.14 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 110.751 -0.94 . . . . 0.0 110.751 179.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 69' ' ' SER . . . . . 0.532 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 90.5 p -60.51 -22.98 64.19 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.894 -179.298 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 86.09 2.8 85.65 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 62.8 p -133.57 164.26 27.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.722 0.296 . . . . 0.0 110.578 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 91.8 t -118.41 123.07 71.02 Favored 'Isoleucine or valine' 0 C--O 1.231 0.121 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.404 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 73' ' ' ASP . . . . . 0.473 ' CG ' ' H ' ' C' ' 74' ' ' PHE . 35.2 t0 -100.21 -173.69 2.49 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.249 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 74' ' ' PHE . . . . . 0.473 ' H ' ' CG ' ' C' ' 73' ' ' ASP . 88.2 t80 -59.21 -48.96 79.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.187 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.32 -44.77 95.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -68.33 -36.42 79.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.953 179.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -57.43 -47.95 80.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.433 179.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 25.1 mt -62.07 -40.71 96.73 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 119.979 -0.689 . . . . 0.0 110.39 179.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 2.1 t -68.02 -32.63 57.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.125 179.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 3.4 ttt -63.27 -39.37 94.4 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.432 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 4.2 mtp -80.68 -42.01 22.75 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.204 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 53.4 t -61.43 -40.79 87.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.457 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 7.8 tpt85 -57.7 -45.95 85.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.317 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 84' ' ' CYS . . . . . . . . . . . . . 97.7 m -61.13 -46.52 90.23 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.356 -0.538 . . . . 0.0 111.033 -179.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 61.1 mtt -69.53 -42.54 74.51 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.656 -0.418 . . . . 0.0 111.228 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 12.6 ttmt . . . . . 0 N--CA 1.447 -0.586 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 179.905 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.206 0 CA-C-O 121.131 0.491 . . . . 0.0 110.808 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 54.1 ttp -61.3 -43.05 99.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.131 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 154' ' ' MET . . . . . . . . . . . . . 59.5 tpp -62.15 -40.62 96.58 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -59.2 -43.46 92.23 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.548 -179.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.86 0 C-N-CA 119.818 -0.753 . . . . 0.0 110.965 -179.994 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.425 0 CA-C-O 120.795 0.331 . . . . 0.0 110.203 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.81 -41.53 91.44 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.777 0.322 . . . . 0.0 110.472 -179.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 55.6 t -63.68 -46.86 93.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.959 179.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 -71.65 -36.36 70.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.143 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -63.01 -39.22 94.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.03 -179.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 8.6 mt -43.43 132.15 4.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.664 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 13' ' ' THR . . . . . 0.574 ' HG1' HE21 ' C' ' 16' ' ' GLN . 82.0 p -70.37 165.41 22.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.733 -179.719 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -63.41 -37.68 88.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.512 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -62.1 -44.96 95.53 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.358 -179.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 16' ' ' GLN . . . . . 0.574 HE21 ' HG1' ' C' ' 13' ' ' THR . 67.2 mt-30 -64.06 -41.16 97.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.471 179.123 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.73 -39.76 95.07 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.718 179.181 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -62.49 -40.01 95.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.615 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -61.57 -43.99 97.84 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.716 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -66.1 -39.05 89.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.506 179.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 56.8 tttm -60.4 -42.04 95.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.153 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.76 -40.82 93.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.178 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.75 -38.6 88.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.418 179.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -58.5 -46.44 86.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.185 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -60.14 -41.4 92.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.323 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 97.9 mt -69.47 -37.65 75.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.337 0.589 . . . . 0.0 110.211 178.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.56 -40.54 75.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.577 -178.566 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 29.2 m -82.06 23.19 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.085 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 29' ' ' LEU . . . . . 0.415 ' C ' ' CD1' ' C' ' 29' ' ' LEU . 3.8 pp -60.21 -10.34 4.41 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.49 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . -125.17 15.03 7.36 Favored Glycine 0 CA--C 1.522 0.479 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 31' ' ' ALA . . . . . 0.4 ' CB ' ' O ' ' C' ' 35' ' ' CYS . . . -125.12 124.21 41.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.794 0.33 . . . . 0.0 110.616 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -86.5 -14.04 44.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.572 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -93.25 -7.48 44.96 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.587 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 81.07 17.13 72.87 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 35' ' ' CYS . . . . . 0.4 ' O ' ' CB ' ' C' ' 31' ' ' ALA . 31.3 p -112.58 158.22 20.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.746 0.308 . . . . 0.0 110.563 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 87.5 mt -110.87 123.2 66.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.411 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 52.5 p -125.88 -165.9 1.49 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.313 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 74.4 p -64.23 -33.38 75.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.027 0.441 . . . . 0.0 110.255 -179.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 53.3 mttp -64.06 -41.64 97.28 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.622 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.53 -46.44 63.62 Favored 'General case' 0 C--O 1.23 0.063 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.811 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 11.2 mt -64.12 -17.66 63.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.566 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.32 -37.43 93.06 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 51.4 mmtt -64.73 -39.61 93.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.976 0.417 . . . . 0.0 110.547 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 69.8 t -61.77 -41.85 92.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.099 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 34.0 mmt -60.48 -41.29 93.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.649 -179.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -61.78 -41.21 97.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.435 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 4.4 mmt -61.12 -33.22 73.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.774 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 96.6 mt -78.95 -5.31 53.46 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.618 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.3 20.87 71.4 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -115.96 143.61 45.21 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.782 0.325 . . . . 0.0 110.538 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -134.43 68.65 73.0 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.448 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -77.41 -168.15 0.56 Allowed 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 123.05 2.5 . . . . 0.0 112.268 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.77 155.97 41.27 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.776 -179.771 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -59.07 -29.14 89.78 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.707 2.271 . . . . 0.0 112.311 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -61.26 -37.74 84.21 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.116 0.484 . . . . 0.0 109.887 -179.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -64.87 -39.36 93.41 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.111 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 57' ' ' LEU . . . . . 0.465 ' N ' ' CD2' ' C' ' 57' ' ' LEU . 4.2 mm? -61.01 -39.99 91.85 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.792 179.472 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -63.66 -42.4 98.08 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.812 179.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.31 -40.99 96.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.345 -179.204 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 68.3 mtt -62.4 -42.99 99.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.559 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.37 -44.72 94.56 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.258 0 CA-C-O 121.169 0.509 . . . . 0.0 110.364 179.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -60.97 -40.01 91.77 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.771 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -60.98 -46.02 92.44 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.113 -178.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 32.4 m -80.45 -31.06 12.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.852 -179.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 65' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -71.41 123.33 22.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.552 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -70.26 -39.65 74.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.443 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 58.3 p30 -89.76 -10.58 45.04 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.937 -179.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 66.13 25.1 72.14 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.684 -0.966 . . . . 0.0 110.684 179.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 83.0 p -55.77 -27.5 51.23 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.649 -179.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 101.06 2.4 54.79 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 179.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 56.9 p -137.04 162.24 33.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.62 0.248 . . . . 0.0 110.601 179.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 90.6 t -119.43 126.24 75.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.605 179.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -105.78 -169.64 1.62 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.713 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -59.79 -48.95 79.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.681 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -62.27 -51.03 69.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.926 0.393 . . . . 0.0 110.717 -179.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -64.45 -35.16 80.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.417 178.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -56.81 -47.66 79.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.316 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 74.0 mt -62.48 -39.08 92.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.552 178.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 72.3 t -65.27 -41.23 90.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.782 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 67.8 ttp -62.63 -40.48 97.12 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.369 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 6.8 mmt -67.06 -45.13 78.28 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.769 -179.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 72.7 t -68.13 -39.77 81.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.506 179.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -59.23 -44.88 92.31 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.472 -179.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 84' ' ' CYS . . . . . . . . . . . . . 97.3 m -63.13 -42.32 99.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.567 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 85.8 mtp -65.15 -42.12 94.06 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.738 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 2.8 mmtp . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.001 179.859 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.889 0.376 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 66.0 mtt -65.58 -40.34 92.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.496 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 154' ' ' MET . . . . . . . . . . . . . 21.8 mmt -61.81 -42.54 99.14 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.562 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 24.4 tm0? -66.79 -41.7 87.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.839 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.792 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.748 0.309 . . . . 0.0 110.369 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.8 -41.13 99.14 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.328 -179.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 61.9 t -66.65 -41.85 88.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.69 -0.687 . . . . 0.0 111.197 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -72.76 -32.92 66.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.909 0.385 . . . . 0.0 110.489 -179.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 11' ' ' GLN . . . . . 0.435 ' O ' ' C ' ' C' ' 12' ' ' LEU . 6.5 tp-100 -61.85 -24.41 66.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.888 -179.044 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' C' ' 11' ' ' GLN . 1.8 mm? -33.33 145.7 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.877 0.37 . . . . 0.0 111.326 -179.212 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 71.5 p -78.09 160.03 28.32 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -65.4 -39.71 92.52 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.567 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -62.86 -43.61 98.34 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.832 -179.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -65.3 -39.29 92.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.079 0.466 . . . . 0.0 110.276 179.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.45 -38.82 81.47 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.527 179.725 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -63.46 -49.35 74.01 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.295 -0.562 . . . . 0.0 111.535 -179.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -66.63 -37.5 84.98 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.991 0.424 . . . . 0.0 110.597 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . 0.473 ' CD1' ' C ' ' C' ' 20' ' ' PHE . 0.2 OUTLIER -59.07 -51.93 67.93 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.713 179.297 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -54.66 -42.45 71.32 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.744 -0.383 . . . . 0.0 110.274 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.66 -41.58 97.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.144 0.497 . . . . 0.0 110.65 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.23 -39.21 89.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.087 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -61.99 -39.99 94.09 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.105 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -61.06 -39.25 89.15 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.543 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 1.4 mp -77.46 -38.26 26.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.942 0.401 . . . . 0.0 110.304 179.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.15 -36.58 73.22 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.791 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 23.6 m -83.79 23.05 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.845 -179.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 29' ' ' LEU . . . . . 0.409 ' HG ' ' H ' ' C' ' 30' ' ' GLY . 1.8 pp -44.03 -43.16 6.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 30' ' ' GLY . . . . . 0.409 ' H ' ' HG ' ' C' ' 29' ' ' LEU . . . -99.88 -26.85 8.2 Favored Glycine 0 CA--C 1.526 0.744 0 C-N-CA 120.992 -0.623 . . . . 0.0 111.637 -179.246 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 31' ' ' ALA . . . . . 0.491 ' N ' ' OE2' ' C' ' 40' ' ' GLU . . . -80.6 99.71 8.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.038 0.447 . . . . 0.0 110.638 -179.58 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -65.98 -34.73 78.78 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.246 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 57.6 p-10 -72.06 -13.09 61.5 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.832 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.62 20.27 56.64 Favored Glycine 0 CA--C 1.526 0.765 0 C-N-CA 120.519 -0.848 . . . . 0.0 111.445 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 35' ' ' CYS . . . . . 0.445 ' O ' ' CB ' ' C' ' 31' ' ' ALA . 79.7 m -110.74 139.98 45.54 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.702 0.287 . . . . 0.0 110.581 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 10.3 mm -95.22 133.29 36.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.845 0.355 . . . . 0.0 110.21 -179.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 37' ' ' SER . . . . . 0.426 ' HG ' ' H ' ' C' ' 38' ' ' THR . 22.8 t -134.29 -174.13 3.47 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.424 -179.765 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 38' ' ' THR . . . . . 0.426 ' H ' ' HG ' ' C' ' 37' ' ' SER . 75.6 p -64.88 -25.57 67.95 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.193 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.19 -50.7 72.05 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.506 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 40' ' ' GLU . . . . . 0.491 ' OE2' ' N ' ' C' ' 31' ' ' ALA . 96.1 mt-10 -71.93 -37.08 70.09 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.423 0.63 . . . . 0.0 111.05 179.14 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 9.6 tp -56.87 -27.83 60.95 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.22 -179.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.07 -40.88 97.69 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -68.49 -38.82 81.34 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 121.218 0.532 . . . . 0.0 109.801 179.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 65.7 t -59.85 -44.3 93.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.072 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 23.5 mmt -62.12 -39.09 91.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.625 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.14 -42.27 94.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.453 -179.549 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 77.5 mtm -65.25 -36.44 84.12 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.189 0.519 . . . . 0.0 110.408 179.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 98.1 mt -72.42 -5.97 40.29 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.544 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.72 23.91 66.07 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -121.32 140.5 52.0 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.948 0.404 . . . . 0.0 110.532 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 61.6 t-20 -135.33 69.57 68.47 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.691 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -78.1 -167.95 0.55 Allowed 'Trans proline' 0 C--N 1.304 -1.803 0 C-N-CA 123.035 2.49 . . . . 0.0 112.154 179.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 3.3 p -98.8 152.71 37.95 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.388 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -48.77 -36.2 32.6 Favored 'Trans proline' 0 N--CA 1.498 1.744 0 C-N-CA 122.223 1.949 . . . . 0.0 112.444 179.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -58.32 -35.26 71.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.191 0.52 . . . . 0.0 110.832 -179.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 74.1 mt-10 -70.57 -39.82 73.69 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.025 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 11.2 mp -59.66 -43.44 93.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.639 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -64.33 -43.62 94.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.787 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 59' ' ' GLU . . . . . 0.431 ' O ' ' OD1' ' C' ' 62' ' ' ASP . 98.3 mt-10 -64.2 -39.16 93.39 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.728 179.577 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 60' ' ' MET . . . . . 0.464 ' SD ' ' O ' ' C' ' 60' ' ' MET . 0.0 OUTLIER -57.77 -44.61 86.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.263 -179.129 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 97.0 mt -69.29 -42.21 81.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.844 179.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 62' ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' C' ' 59' ' ' GLU . 0.0 OUTLIER -55.17 -29.67 58.3 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.057 -178.934 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -62.45 -41.58 98.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.968 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 7.3 p -95.61 -31.25 4.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.857 0.36 . . . . 0.0 111.626 -179.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 65' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -69.07 115.61 8.57 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.04 0.448 . . . . 0.0 110.577 -178.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -81.47 -16.76 50.96 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.795 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -95.28 -13.38 24.89 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.599 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 69.11 13.73 67.43 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 179.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 91.9 p -64.11 -20.38 65.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.727 0.299 . . . . 0.0 110.818 -179.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 82.59 6.88 88.17 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 60.3 p -129.96 160.28 34.11 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.898 0.38 . . . . 0.0 110.591 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 57.4 t -122.16 123.0 67.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.658 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 73' ' ' ASP . . . . . 0.478 ' OD1' ' N ' ' C' ' 76' ' ' GLU . 51.2 p30 -90.31 -171.21 3.02 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.691 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -59.71 -48.94 79.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.099 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -65.88 -56.1 13.57 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.54 -179.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . 0.478 ' N ' ' OD1' ' C' ' 73' ' ' ASP . 59.7 mt-10 -52.13 -29.44 21.91 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.107 0.48 . . . . 0.0 109.819 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -70.03 -43.7 70.77 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 119.834 -0.746 . . . . 0.0 109.768 178.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 33.9 tp -64.98 -45.07 87.21 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.199 -178.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 1.1 m -66.76 -27.59 40.41 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.269 -178.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 11.5 ttp -67.42 -41.18 85.25 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 81' ' ' MET . . . . . 0.489 ' O ' ' SG ' ' C' ' 84' ' ' CYS . 81.4 mmm -63.26 -43.84 96.85 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.961 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 93.8 t -66.98 -41.61 87.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.405 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 74.3 mtp180 -60.38 -43.14 96.89 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.519 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 84' ' ' CYS . . . . . 0.566 ' HG ' ' N ' ' C' ' 85' ' ' MET . 11.1 p -67.01 -38.8 86.61 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.512 -179.302 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 85' ' ' MET . . . . . 0.566 ' N ' ' HG ' ' C' ' 84' ' ' CYS . 97.7 mtp -65.63 -41.38 92.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.714 179.448 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.515 -179.668 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.249 0 CA-C-O 120.839 0.352 . . . . 0.0 110.423 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 10.8 mtm -59.97 -41.43 91.94 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.711 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 154' ' ' MET . . . . . . . . . . . . . 64.8 mtt -65.93 -37.91 87.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.596 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -60.69 -43.79 97.31 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.416 0 CA-C-O 120.871 0.367 . . . . 0.0 110.656 179.786 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.444 0.164 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.06 -43.89 98.2 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.292 -0.563 . . . . 0.0 110.201 -179.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 53.6 t -64.12 -48.49 85.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.308 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -65.65 -33.11 75.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.709 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -61.34 -27.01 68.19 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.646 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 91.2 mt -53.59 135.64 40.08 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.24 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 13' ' ' THR . . . . . 0.457 ' OG1' ' OE1' ' C' ' 16' ' ' GLN . 70.6 p -78.34 170.9 15.88 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.541 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 58.5 mp0 -60.35 -38.99 85.56 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.681 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -65.11 -43.92 90.43 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.628 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 16' ' ' GLN . . . . . 0.463 ' OE1' ' N ' ' C' ' 16' ' ' GLN . 2.4 mp0 -61.31 -42.93 99.49 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.177 179.47 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 24.1 mmtt -61.81 -41.07 97.29 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.418 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -64.93 -39.46 93.55 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 120.09 -0.644 . . . . 0.0 110.626 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -63.63 -43.88 95.55 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.318 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -67.72 -41.02 84.15 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.172 0.51 . . . . 0.0 110.318 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 56.3 tttp -60.52 -41.56 94.67 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.606 179.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.43 -44.3 95.92 Favored 'General case' 0 C--O 1.221 -0.402 0 C-N-CA 120.131 -0.628 . . . . 0.0 109.982 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.42 -38.3 90.62 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.047 0.451 . . . . 0.0 110.433 179.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -60.63 -35.17 75.51 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.401 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -59.64 -37.88 79.87 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.146 -179.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 4.1 mp -82.09 -40.46 17.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.546 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 27' ' ' PHE . . . . . 0.506 ' C ' ' H ' ' C' ' 29' ' ' LEU . 1.4 m-85 -54.8 -38.0 66.77 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.318 -0.553 . . . . 0.0 111.391 -179.542 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' C' ' 31' ' ' ALA . 31.6 m -75.11 21.07 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.351 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 29' ' ' LEU . . . . . 0.506 ' H ' ' C ' ' C' ' 27' ' ' PHE . 1.0 OUTLIER -46.55 107.56 0.11 Allowed 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 121.409 0.623 . . . . 0.0 109.746 179.309 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 99.01 -20.98 48.1 Favored Glycine 0 CA--C 1.524 0.62 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.914 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 31' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' C' ' 28' ' ' VAL . . . -87.34 91.92 8.89 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 120.224 -0.591 . . . . 0.0 109.851 179.22 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 58.6 mp0 -61.96 -34.55 76.34 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.19 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -67.3 -17.73 64.89 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.425 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.02 13.92 70.65 Favored Glycine 0 CA--C 1.52 0.397 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 35' ' ' CYS . . . . . . . . . . . . . 73.8 m -117.62 143.28 46.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.862 0.363 . . . . 0.0 110.685 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 90.4 mt -101.37 130.11 51.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.222 0.534 . . . . 0.0 110.897 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 80.1 p -125.81 -169.73 2.06 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.166 -0.924 . . . . 0.0 109.605 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 71.5 p -63.49 -22.91 67.16 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.341 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 8.8 tptm -69.39 -61.25 1.86 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.027 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -63.64 -42.24 98.16 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.175 0.512 . . . . 0.0 110.639 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 25.4 tp -63.9 -38.27 90.47 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.051 -179.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.57 -38.65 96.18 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.47 -1.052 . . . . 0.0 110.47 179.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.08 -40.11 96.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.331 0.586 . . . . 0.0 109.899 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 64.6 t -62.59 -44.94 99.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.265 179.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 9.5 mmt -60.95 -39.1 88.21 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.361 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 -58.85 -43.32 90.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.296 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 59.5 ttp -60.7 -38.84 86.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.124 0.488 . . . . 0.0 110.156 179.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 96.6 mt -71.01 -9.83 58.7 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.979 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 93.86 9.21 59.95 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.211 -0.755 . . . . 0.0 111.211 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -111.36 134.26 53.08 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.835 0.35 . . . . 0.0 110.318 179.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -133.33 75.64 69.9 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.871 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -64.82 -153.63 0.02 OUTLIER 'Trans proline' 0 C--N 1.296 -2.193 0 C-N-CA 122.484 2.123 . . . . 0.0 111.865 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 37.1 p -126.52 155.8 74.01 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.424 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -51.05 -39.83 59.9 Favored 'Trans proline' 0 N--CA 1.497 1.679 0 C-N-CA 121.78 1.653 . . . . 0.0 113.03 179.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -62.5 -44.66 95.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.486 0.66 . . . . 0.0 110.704 -178.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -66.99 -42.69 84.62 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.891 -1.05 . . . . 0.0 110.557 -179.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 95.2 mt -64.04 -39.09 93.32 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.371 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -63.32 -41.31 98.9 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.711 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -64.01 -39.62 94.53 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.68 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 28.3 ttt -59.37 -46.07 89.67 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 120.848 0.356 . . . . 0.0 110.399 -179.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 95.7 mt -64.83 -39.56 86.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.163 0.506 . . . . 0.0 110.645 179.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -59.04 -37.65 77.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.925 -179.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -59.89 -28.97 68.02 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.306 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 30.3 m -112.95 1.64 8.64 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 N-CA-C 112.181 0.438 . . . . 0.0 112.181 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 65' ' ' ASP . . . . . 0.51 ' OD1' ' N ' ' C' ' 68' ' ' GLY . 40.4 t0 -95.27 104.05 15.93 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 119.975 -0.69 . . . . 0.0 111.036 -179.234 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -65.09 -41.54 94.92 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.054 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 67' ' ' ASP . . . . . 0.437 ' OD1' ' OD1' ' C' ' 65' ' ' ASP . 2.5 p30 -84.49 -10.51 57.4 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.832 -179.308 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 68' ' ' GLY . . . . . 0.51 ' N ' ' OD1' ' C' ' 65' ' ' ASP . . . 71.71 13.82 75.1 Favored Glycine 0 CA--C 1.526 0.719 0 C-N-CA 120.589 -0.815 . . . . 0.0 111.085 179.173 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 69' ' ' SER . . . . . 0.47 ' HG ' ' HG1' ' C' ' 71' ' ' THR . 93.8 p -62.29 -21.01 64.9 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.58 0.215 . . . . 0.0 111.58 -179.307 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 70' ' ' GLY . . . . . 0.44 ' N ' ' OD2' ' C' ' 65' ' ' ASP . . . 84.96 11.56 76.3 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 110.6 -1.0 . . . . 0.0 110.6 -179.614 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 71' ' ' THR . . . . . 0.47 ' HG1' ' HG ' ' C' ' 69' ' ' SER . 59.5 p -133.29 161.17 35.2 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.686 0.279 . . . . 0.0 110.67 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 72.9 t -110.53 125.86 67.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.618 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -102.81 -179.22 3.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.64 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -58.48 -47.46 83.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.624 -179.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -61.6 -47.67 84.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.533 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -64.74 -37.28 87.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.126 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -57.45 -47.46 81.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.503 179.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 96.8 mt -61.89 -40.67 96.22 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.587 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 72.5 t -65.18 -42.44 94.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.523 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 65.4 ttp -63.07 -37.85 88.85 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-O 121.543 0.687 . . . . 0.0 109.813 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 81' ' ' MET . . . . . 0.456 ' SD ' ' O ' ' C' ' 81' ' ' MET . 0.0 OUTLIER -72.02 -41.88 67.02 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.92 -179.098 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 64.8 t -62.36 -48.02 90.28 Favored 'Isoleucine or valine' 0 C--O 1.238 0.447 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.419 -179.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 42.8 ptt85 -67.7 -32.93 73.91 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.401 -0.519 . . . . 0.0 110.055 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 84' ' ' CYS . . . . . . . . . . . . . 52.8 t -60.93 -46.32 91.14 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.347 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 16.6 tpt -60.93 -43.99 97.83 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.093 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 68.2 mttm . . . . . 0 N--CA 1.463 0.218 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.191 179.139 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.633 0.254 . . . . 0.0 110.364 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 22.5 mmt -63.58 -42.06 98.32 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.691 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 154' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.41 -43.09 95.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.685 -179.434 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -65.4 -41.07 94.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.497 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.975 179.998 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.186 0 CA-C-O 120.609 0.243 . . . . 0.0 110.567 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.35 -40.63 94.99 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.308 -179.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 54.3 t -68.16 -46.26 81.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.825 179.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -66.09 -25.48 67.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.427 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -61.52 -32.32 72.37 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.564 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . 0.418 ' N ' ' CD2' ' C' ' 12' ' ' LEU . 4.4 mm? -47.34 134.02 11.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.836 0.35 . . . . 0.0 110.692 -179.545 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 13' ' ' THR . . . . . 0.449 ' HG1' ' H ' ' C' ' 16' ' ' GLN . 63.7 p -86.33 162.76 18.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.873 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 14' ' ' GLU . . . . . 0.531 ' O ' ' ND2' ' C' ' 18' ' ' ASN . 57.8 mp0 -61.76 -39.78 92.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.581 179.738 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -63.9 -44.87 91.67 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.412 179.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 16' ' ' GLN . . . . . 0.449 ' H ' ' HG1' ' C' ' 13' ' ' THR . 0.4 OUTLIER -63.69 -42.08 98.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.029 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -64.75 -39.89 94.38 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.59 179.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 18' ' ' ASN . . . . . 0.531 ' ND2' ' O ' ' C' ' 14' ' ' GLU . 53.6 m-80 -61.6 -40.34 94.47 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 120.571 -0.452 . . . . 0.0 111.007 -179.698 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -65.18 -39.9 93.52 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.476 179.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . 0.409 ' CD1' ' C ' ' C' ' 20' ' ' PHE . 0.0 OUTLIER -64.55 -44.51 90.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.886 179.287 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 19.5 mtpp -58.77 -38.51 78.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.145 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.33 -44.4 97.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.828 0.347 . . . . 0.0 110.201 179.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.93 -39.79 94.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.454 178.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 24' ' ' PHE . . . . . 0.642 ' CE2' ' CZ ' ' C' ' 74' ' ' PHE . 53.8 t80 -61.07 -43.58 98.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.28 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -60.04 -39.67 86.72 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.116 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 97.3 mt -70.9 -43.45 76.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.622 0.249 . . . . 0.0 110.408 178.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 27' ' ' PHE . . . . . 0.482 ' C ' ' H ' ' C' ' 29' ' ' LEU . 0.2 OUTLIER -50.45 -43.61 55.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.889 0.376 . . . . 0.0 110.861 -179.608 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . 0.433 ' O ' ' N ' ' C' ' 31' ' ' ALA . 31.0 m -76.13 26.99 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.957 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 29' ' ' LEU . . . . . 0.482 ' H ' ' C ' ' C' ' 27' ' ' PHE . 0.8 OUTLIER -49.65 101.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.222 0.534 . . . . 0.0 110.642 179.707 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 100.15 -16.92 57.76 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 31' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' C' ' 28' ' ' VAL . . . -84.61 95.25 8.82 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 120.879 0.371 . . . . 0.0 110.286 179.618 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.63 -26.08 67.66 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.702 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -68.8 -21.0 64.35 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.488 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.81 13.45 83.11 Favored Glycine 0 CA--C 1.521 0.417 0 N-CA-C 110.675 -0.97 . . . . 0.0 110.675 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 35' ' ' CYS . . . . . . . . . . . . . 74.5 m -112.53 144.94 41.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.766 0.317 . . . . 0.0 110.538 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 78.8 mt -102.64 118.29 49.3 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.155 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.227 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 37' ' ' SER . . . . . 0.444 ' OG ' ' OE1' ' C' ' 40' ' ' GLU . 15.9 p -121.95 -169.96 1.97 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.451 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 76.8 p -62.94 -31.57 72.69 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.244 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 34.8 mtpt -65.72 -44.03 87.29 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.663 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 40' ' ' GLU . . . . . 0.444 ' OE1' ' OG ' ' C' ' 37' ' ' SER . 60.9 mp0 -72.15 -40.7 67.84 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.271 0.557 . . . . 0.0 110.668 179.375 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.18 -29.9 70.77 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.375 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.99 -42.29 98.28 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 57.2 mmtt -68.41 -40.37 81.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.88 0.371 . . . . 0.0 110.281 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 79.2 t -63.85 -42.5 96.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.265 179.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 16.8 mmt -61.48 -39.67 91.76 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.447 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 42.5 tpt85 -59.88 -41.08 90.79 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.017 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 60.5 ttm -60.81 -39.44 89.0 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.046 0.451 . . . . 0.0 110.255 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 96.9 mt -70.98 -14.58 62.4 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.47 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 94.0 13.69 53.99 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 94.5 mm-40 -110.97 137.25 48.83 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.969 0.414 . . . . 0.0 110.529 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -129.97 74.65 80.38 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.031 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -75.71 -169.56 0.69 Allowed 'Trans proline' 0 C--N 1.308 -1.563 0 C-N-CA 122.848 2.365 . . . . 0.0 112.067 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.57 159.01 34.76 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.075 -179.577 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -49.87 -41.17 47.96 Favored 'Trans proline' 0 N--CA 1.493 1.468 0 C-N-CA 122.392 2.062 . . . . 0.0 112.211 179.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.89 -44.1 97.58 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-O 120.731 0.301 . . . . 0.0 110.863 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.27 -39.64 92.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.398 0.618 . . . . 0.0 109.897 -178.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 95.8 mt -68.1 -36.48 79.84 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.846 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -62.92 -44.12 96.94 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.113 -178.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -72.88 -27.91 62.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.017 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 33.3 mtt -63.52 -47.01 83.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.188 179.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 92.2 mt -68.02 -42.09 85.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.696 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 62' ' ' ASP . . . . . 0.437 ' OD1' ' O ' ' C' ' 62' ' ' ASP . 61.9 t0 -60.69 -35.63 76.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.662 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -49.47 -26.56 3.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -178.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 15.7 m -118.7 -30.3 1.81 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.259 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.187 -179.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 65' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -70.9 113.6 8.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.957 0.408 . . . . 0.0 110.386 -179.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -81.43 -29.7 33.75 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.621 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 67' ' ' ASP . . . . . 0.412 ' OD2' ' OE2' ' C' ' 76' ' ' GLU . 0.8 OUTLIER -81.28 -14.81 56.99 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.918 -179.801 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 66.4 18.75 67.93 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 179.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 88.8 p -62.05 -19.01 62.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.873 0.368 . . . . 0.0 110.736 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.17 5.09 87.78 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.74 -0.944 . . . . 0.0 110.74 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 70.3 p -135.53 159.95 40.01 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 121.161 -0.216 . . . . 0.0 110.482 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 27.1 t -114.73 126.99 72.43 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.017 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 73' ' ' ASP . . . . . 0.502 ' CG ' ' H ' ' C' ' 74' ' ' PHE . 23.2 t0 -99.42 -172.59 2.29 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.678 179.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 74' ' ' PHE . . . . . 0.642 ' CZ ' ' CE2' ' C' ' 24' ' ' PHE . 71.0 m-85 -63.86 -46.7 83.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.01 -179.752 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -68.69 -42.8 77.3 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.982 0.42 . . . . 0.0 111.005 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . 0.412 ' OE2' ' OD2' ' C' ' 67' ' ' ASP . 89.3 mt-10 -63.43 -39.2 93.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.618 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -62.61 -43.48 98.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.225 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 85.9 mt -60.71 -39.03 87.06 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.461 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 78.5 t -61.7 -44.44 98.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.023 -179.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 80' ' ' MET . . . . . 0.439 ' SD ' ' C ' ' C' ' 80' ' ' MET . 19.5 tmm? -65.23 -40.09 93.61 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.239 0.542 . . . . 0.0 110.454 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 35.1 ttm -64.79 -44.07 91.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.245 -179.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 52.9 t -59.61 -44.5 93.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.352 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 76.0 mtp85 -63.74 -45.81 88.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.964 0.411 . . . . 0.0 110.662 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 84' ' ' CYS . . . . . . . . . . . . . 90.7 m -65.41 -38.95 91.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.909 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 12.6 tpt -58.86 -39.66 81.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.39 -178.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 67.7 mttm . . . . . 0 C--O 1.233 0.197 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.15 179.801 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.676 0.274 . . . . 0.0 110.52 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 64.4 mtt -60.51 -45.41 93.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.661 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 154' ' ' MET . . . . . . . . . . . . . 77.7 mtm -66.07 -40.65 91.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.745 179.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -63.45 -43.53 97.11 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.914 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.608 -179.183 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.21 0 CA-C-O 120.725 0.298 . . . . 0.0 110.586 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.75 -39.26 84.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.212 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 58.2 t -65.74 -45.94 90.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.14 179.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -73.58 -33.06 64.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.952 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -61.86 -38.07 86.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.58 -179.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 mp -39.63 143.06 0.25 Allowed 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 120.884 0.373 . . . . 0.0 110.729 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 80.8 p -74.96 164.76 26.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.952 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -61.17 -39.17 89.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.593 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -64.46 -42.28 96.04 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.436 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -62.3 -38.32 88.94 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.281 -0.418 . . . . 0.0 109.996 -179.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -68.83 -36.46 78.22 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.266 179.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -62.02 -48.73 79.0 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 120.639 -0.424 . . . . 0.0 111.374 -179.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -64.76 -37.33 87.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.815 179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -58.25 -49.28 77.65 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.698 179.333 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -60.17 -44.07 95.32 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.391 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.99 -40.2 94.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.508 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.56 -41.28 97.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.709 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 24' ' ' PHE . . . . . 0.639 ' CD1' ' CZ ' ' C' ' 74' ' ' PHE . 48.2 t80 -61.12 -43.78 98.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.403 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -60.06 -41.52 92.52 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.538 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 95.0 mt -66.57 -40.7 86.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 CA-C-O 120.978 0.418 . . . . 0.0 110.558 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -59.37 -40.43 86.45 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 28.2 m -87.09 31.94 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.019 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 29' ' ' LEU . . . . . 0.405 ' HG ' ' H ' ' C' ' 30' ' ' GLY . 2.4 pp -52.64 -38.85 61.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 30' ' ' GLY . . . . . 0.405 ' H ' ' HG ' ' C' ' 29' ' ' LEU . . . -113.63 27.35 9.37 Favored Glycine 0 C--N 1.331 0.281 0 N-CA-C 111.863 -0.495 . . . . 0.0 111.863 -178.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -119.92 102.79 8.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.856 0.36 . . . . 0.0 110.523 179.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -66.21 -37.6 85.96 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.905 179.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -66.97 -19.14 65.67 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.468 -179.282 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.64 10.6 81.27 Favored Glycine 0 CA--C 1.519 0.337 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 35' ' ' CYS . . . . . . . . . . . . . 77.3 m -109.14 150.56 27.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.702 0.287 . . . . 0.0 110.584 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 92.9 mt -96.9 120.14 45.86 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.343 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 77.9 p -122.91 -168.09 1.7 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.516 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 61.4 p -61.99 -39.2 91.4 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.277 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -64.37 -43.58 94.07 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.737 179.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -66.77 -41.32 87.89 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 120.96 0.409 . . . . 0.0 110.561 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 11.9 mt -67.63 -37.5 82.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.708 179.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.64 -41.25 97.29 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 110.637 -0.985 . . . . 0.0 110.637 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.2 -40.15 86.42 Favored 'General case' 0 N--CA 1.44 -0.95 0 C-N-CA 120.701 -0.399 . . . . 0.0 110.333 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 58.9 t -64.25 -42.39 95.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.347 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 18.1 mmt -60.18 -34.62 73.85 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.364 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 51.1 ttm-85 -54.11 -37.29 64.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.763 -179.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 99.1 mtp -63.81 -39.08 93.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.065 0.459 . . . . 0.0 110.528 179.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 99.5 mt -67.45 -27.87 67.4 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.473 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.84 25.98 6.96 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -120.2 141.44 49.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.811 0.339 . . . . 0.0 110.719 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 -132.01 69.64 80.69 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.275 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -75.33 -167.41 0.43 Allowed 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 123.083 2.522 . . . . 0.0 112.206 -179.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 16.6 p -106.33 152.83 40.66 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.811 -179.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -60.5 -31.37 92.36 Favored 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.355 2.037 . . . . 0.0 112.219 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -64.0 -41.24 97.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.157 0.504 . . . . 0.0 110.026 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -66.22 -41.58 89.89 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.108 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 63.7 mt -64.88 -37.91 89.2 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.292 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -60.92 -44.62 96.94 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.499 -179.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -67.53 -37.85 83.37 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.52 179.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 28.4 ttt -59.7 -45.26 92.67 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.332 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 61' ' ' ILE . . . . . 0.459 ' O ' ' N ' ' C' ' 65' ' ' ASP . 96.0 mt -63.85 -41.47 92.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.466 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -59.44 -41.95 90.78 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.759 -179.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -66.36 -42.23 88.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.842 0.353 . . . . 0.0 110.345 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 96.7 t -77.48 -32.64 18.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.789 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 65' ' ' ASP . . . . . 0.545 ' OD2' ' N ' ' C' ' 69' ' ' SER . 59.5 t0 -83.93 111.41 19.22 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.514 -179.542 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -65.69 -37.9 87.74 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.616 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.64 -11.43 51.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 -179.488 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.76 20.15 73.94 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 69' ' ' SER . . . . . 0.545 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 41.1 m -49.66 -27.71 5.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.828 0.347 . . . . 0.0 110.268 -179.518 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 96.82 -7.12 64.99 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 66.2 p -140.39 163.27 33.24 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.704 0.288 . . . . 0.0 110.612 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 56.0 t -111.24 123.21 66.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.531 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -96.63 -170.58 2.09 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.686 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 74' ' ' PHE . . . . . 0.639 ' CZ ' ' CD1' ' C' ' 24' ' ' PHE . 64.7 m-85 -60.5 -49.92 75.61 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.125 -179.673 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -63.36 -45.18 92.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.128 0.489 . . . . 0.0 110.867 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -64.43 -36.35 83.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.566 178.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -58.53 -47.05 85.45 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 87.7 mt -62.32 -38.34 89.07 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.339 -0.544 . . . . 0.0 110.546 179.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 78.9 t -64.62 -42.25 94.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.823 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 2.0 ptt? -62.79 -30.81 71.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.982 -178.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 1.9 mtp -68.16 -53.42 25.25 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.447 -179.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 74.7 t -66.41 -42.96 91.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.652 179.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -62.05 -40.63 96.39 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.667 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 84' ' ' CYS . . . . . . . . . . . . . 42.9 t -57.31 -46.7 82.93 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.209 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 82.6 mmm -63.07 -41.91 99.56 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.443 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 64.3 tttm . . . . . 0 N--CA 1.451 -0.407 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.648 179.739 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.698 0.285 . . . . 0.0 110.564 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 72.8 mtp -67.35 -40.14 85.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.26 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 154' ' ' MET . . . . . . . . . . . . . 8.4 mmt -63.34 -41.81 98.9 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.787 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -63.15 -39.56 95.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.419 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.475 179.817 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.197 0 CA-C-O 120.63 0.253 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.7 -43.6 97.57 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.259 -179.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 53.1 t -63.63 -47.48 91.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.865 179.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -67.06 -29.09 68.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.536 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 9.6 tp-100 -61.81 -27.5 68.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.521 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 95.7 mt -55.16 133.66 49.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.117 0.484 . . . . 0.0 110.711 -179.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 82.1 p -80.48 166.99 20.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.65 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 43.5 mp0 -62.93 -39.24 93.98 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.389 -179.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -67.92 -41.29 82.85 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.875 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 26.6 mm100 -63.52 -40.79 97.96 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.138 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 19.3 mtpp -63.91 -39.78 94.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.515 179.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -63.35 -39.9 95.8 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.057 -0.657 . . . . 0.0 111.109 179.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -61.86 -40.17 94.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.596 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . 0.559 ' CZ ' ' CZ ' ' C' ' 74' ' ' PHE . 0.0 OUTLIER -74.24 -41.03 61.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.806 179.56 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.46 -42.54 70.75 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.285 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.01 -40.91 95.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.008 0.432 . . . . 0.0 110.049 179.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.45 -39.76 94.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.355 179.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -58.9 -46.99 86.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.231 -179.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 25' ' ' ASP . . . . . 0.412 ' O ' ' CG2' ' C' ' 28' ' ' VAL . 96.7 m-20 -62.21 -35.0 77.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.095 179.607 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 94.5 mt -75.84 -37.84 35.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.827 179.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 27' ' ' PHE . . . . . 0.472 ' C ' ' H ' ' C' ' 29' ' ' LEU . 1.4 m-85 -59.56 -37.42 78.39 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.41 -179.567 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . 0.412 ' CG2' ' O ' ' C' ' 25' ' ' ASP . 26.4 m -72.06 13.96 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.994 -179.269 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 29' ' ' LEU . . . . . 0.472 ' H ' ' C ' ' C' ' 27' ' ' PHE . 2.8 pp -50.47 -38.86 46.1 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.724 179.582 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . -85.35 -1.46 88.06 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 -179.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 31' ' ' ALA . . . . . 0.439 ' CB ' ' O ' ' C' ' 35' ' ' CYS . . . -128.39 102.36 6.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.92 0.39 . . . . 0.0 110.35 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 25.6 pt-20 -65.44 -19.83 66.1 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.271 0.558 . . . . 0.0 110.981 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.21 -15.74 63.7 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.679 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.73 12.65 71.53 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 35' ' ' CYS . . . . . 0.439 ' O ' ' CB ' ' C' ' 31' ' ' ALA . 72.8 m -125.79 153.6 43.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.863 0.363 . . . . 0.0 110.729 179.774 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 96.8 mt -94.87 127.14 47.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.625 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 94.2 p -142.12 -169.27 2.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.465 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 59.3 p -59.28 -36.74 76.12 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.288 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -62.95 -43.69 98.11 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.687 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -68.33 -41.31 80.99 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.308 0.575 . . . . 0.0 110.731 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.39 -28.12 69.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.2 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.87 -39.87 97.49 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.715 -0.954 . . . . 0.0 110.715 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.44 -41.15 69.83 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-O 121.012 0.434 . . . . 0.0 110.41 179.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 74.7 t -63.56 -45.73 96.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.667 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 8.0 mmt -62.25 -40.67 96.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.83 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -60.96 -41.37 96.23 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.502 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 28.2 ttt -60.2 -39.98 88.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.681 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 96.7 mt -73.46 -6.87 49.13 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.577 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 91.37 11.45 60.99 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -97.39 142.96 28.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.988 0.423 . . . . 0.0 110.503 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -130.34 67.99 80.7 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.569 179.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -74.5 -169.04 0.54 Allowed 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.796 2.331 . . . . 0.0 111.928 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.37 158.03 75.6 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.454 -179.633 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -49.59 -25.4 10.91 Favored 'Trans proline' 0 N--CA 1.492 1.388 0 C-N-CA 122.084 1.856 . . . . 0.0 112.477 179.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -65.56 -51.65 58.24 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.112 0.482 . . . . 0.0 111.365 -178.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.68 -33.44 53.27 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.947 -179.068 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 54.5 mt -64.66 -42.95 95.04 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.063 0.459 . . . . 0.0 110.576 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 58' ' ' GLN . . . . . 0.45 HE22 ' CA ' ' C' ' 70' ' ' GLY . 71.9 tp60 -66.91 -44.23 81.3 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.588 179.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -62.85 -37.37 86.57 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.711 -179.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 60.4 ttm -60.54 -48.12 83.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.338 0.589 . . . . 0.0 110.525 -179.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 95.3 mt -62.99 -38.85 83.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.335 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 62' ' ' ASP . . . . . 0.441 ' OD2' ' O ' ' C' ' 58' ' ' GLN . 3.7 m-20 -57.89 -41.06 81.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.523 -179.561 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -63.44 -39.82 95.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.919 0.39 . . . . 0.0 110.025 179.277 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 67.5 t -77.07 -32.05 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.51 179.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 65' ' ' ASP . . . . . 0.458 ' OD2' ' O ' ' C' ' 71' ' ' THR . 91.7 m-20 -87.78 120.5 29.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.92 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -68.62 -39.38 80.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.477 179.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 57.0 p30 -82.86 -10.77 58.68 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.994 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 67.0 24.02 72.99 Favored Glycine 0 CA--C 1.52 0.398 0 N-CA-C 110.5 -1.04 . . . . 0.0 110.5 179.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 89.7 p -57.89 -31.21 66.51 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.63 -179.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 70' ' ' GLY . . . . . 0.45 ' CA ' HE22 ' C' ' 58' ' ' GLN . . . 102.29 -1.29 50.38 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 71' ' ' THR . . . . . 0.458 ' O ' ' OD2' ' C' ' 65' ' ' ASP . 38.5 p -130.7 154.95 47.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.707 0.289 . . . . 0.0 110.321 179.68 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 54.2 t -103.65 126.11 58.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.232 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.2 177.75 6.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.634 -179.47 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 74' ' ' PHE . . . . . 0.559 ' CZ ' ' CZ ' ' C' ' 20' ' ' PHE . 16.5 t80 -60.77 -49.62 76.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.558 -178.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -66.15 -40.21 90.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.615 179.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -63.5 -39.33 94.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.327 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -62.6 -42.08 99.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.953 -179.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 78.0 mt -61.73 -39.34 91.21 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.831 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 61.2 t -63.27 -39.61 85.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.279 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -66.67 -35.62 80.58 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.001 0.429 . . . . 0.0 109.929 -178.699 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 68.4 mtp -65.68 -42.82 90.84 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.265 -179.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 72.8 t -65.53 -41.0 89.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.853 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 12.7 mtp85 -56.03 -47.61 77.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.648 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 84' ' ' CYS . . . . . . . . . . . . . 95.6 m -61.59 -39.76 92.38 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.195 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 7.9 mmt -72.2 -41.5 66.89 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.075 -0.511 . . . . 0.0 112.122 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 16.2 mmtp . . . . . 0 N--CA 1.466 0.327 0 CA-C-O 120.828 0.347 . . . . 0.0 111.39 -179.057 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.125 0 CA-C-O 120.748 0.309 . . . . 0.0 110.665 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.67 -48.88 78.27 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.912 -179.516 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' I' I ' 154' ' ' MET . . . . . . . . . . . . . 17.9 mmt -63.59 -39.75 95.19 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.908 179.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -64.48 -39.99 94.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.866 0.365 . . . . 0.0 110.897 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.811 -179.744 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' C' ' 11' ' ' GLN . . . . . . . . 0 N--CA 1.451 -0.395 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.45 -40.09 93.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.199 0.523 . . . . 0.0 110.772 -179.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 54.2 t -68.3 -32.4 55.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.025 179.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -90.2 -27.46 19.52 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.099 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 11' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' C' ' 7' ' ' ALA . 34.5 mt-30 -67.64 -39.67 84.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.971 179.269 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . 0.413 ' O ' ' O ' ' C' ' 11' ' ' GLN . 0.7 OUTLIER -46.34 172.26 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.539 0 CA-C-O 121.138 0.494 . . . . 0.0 111.011 -179.402 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 30.8 p -106.82 171.87 7.13 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.5 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.38 -35.07 78.02 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.079 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -61.62 -43.61 98.55 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.51 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -66.08 -39.06 89.73 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.421 0.629 . . . . 0.0 109.895 179.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.72 -27.51 61.23 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.079 179.082 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -69.02 -50.43 48.75 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 120.427 -0.509 . . . . 0.0 111.733 -179.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -64.97 -40.04 94.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.11 0.481 . . . . 0.0 110.151 -179.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . 0.59 ' CD1' ' N ' ' C' ' 21' ' ' LYS . 0.1 OUTLIER -60.37 -48.87 79.87 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.373 179.368 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' C' C ' 21' ' ' LYS . . . . . 0.59 ' N ' ' CD1' ' C' ' 20' ' ' PHE . 63.3 tttm -61.02 -43.54 98.74 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.481 179.759 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.44 -42.57 98.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.743 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.74 -39.83 95.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.671 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -60.33 -44.86 95.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.37 -179.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.15 -41.28 96.47 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.856 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 97.2 mt -68.86 -40.43 81.23 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.305 0 CA-C-O 121.117 0.484 . . . . 0.0 110.696 179.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -59.54 -38.32 80.75 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.087 -179.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 23.1 m -92.43 32.28 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.047 -179.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 2.7 pp -60.92 -35.95 78.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.771 179.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . -98.1 -3.73 57.79 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 111.282 -0.727 . . . . 0.0 111.282 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 31' ' ' ALA . . . . . 0.452 ' CB ' ' O ' ' C' ' 35' ' ' CYS . . . -105.89 106.97 17.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.775 0.322 . . . . 0.0 110.34 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -69.86 -32.1 70.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.239 0.542 . . . . 0.0 110.951 -179.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -69.26 -19.74 63.93 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.724 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.09 4.71 64.54 Favored Glycine 0 CA--C 1.521 0.441 0 N-CA-C 110.692 -0.963 . . . . 0.0 110.692 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 35' ' ' CYS . . . . . 0.452 ' O ' ' CB ' ' C' ' 31' ' ' ALA . 19.7 p -93.19 159.18 15.39 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 121.098 -0.241 . . . . 0.0 110.437 179.624 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 73.0 mt -115.76 123.43 71.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 N-CA-C 109.975 -0.379 . . . . 0.0 109.975 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 37' ' ' SER . . . . . 0.435 ' OG ' ' OE1' ' C' ' 40' ' ' GLU . 40.5 p -116.42 -172.05 2.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.18 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 68.8 p -64.85 -25.13 67.77 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.283 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -70.94 -47.79 57.05 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 40' ' ' GLU . . . . . 0.435 ' OE1' ' OG ' ' C' ' 37' ' ' SER . 25.4 mp0 -65.31 -38.94 91.72 Favored 'General case' 0 CA--C 1.522 -0.118 0 CA-C-O 120.784 0.326 . . . . 0.0 110.857 179.663 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 14.8 mt -64.03 -12.04 34.83 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.911 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.83 -37.94 93.26 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 43' ' ' LYS . . . . . 0.46 ' N ' ' CD ' ' C' ' 43' ' ' LYS . 2.6 mptp? -65.58 -38.06 88.42 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.958 0.409 . . . . 0.0 110.471 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 72.1 t -62.12 -46.27 96.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.729 -179.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 24.8 mmt -63.31 -39.1 93.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.738 -179.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 56.3 ttp180 -59.5 -42.23 91.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.077 0.465 . . . . 0.0 110.074 -179.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 25.2 mmt -63.97 -37.13 86.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.468 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 91.9 mt -78.29 -3.02 40.83 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.571 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.16 25.85 67.74 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -115.03 142.72 46.25 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 121.03 0.443 . . . . 0.0 110.541 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 21.2 p30 -135.65 68.97 66.64 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 115.778 -0.647 . . . . 0.0 111.039 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -75.41 -168.48 0.53 Allowed 'Trans proline' 0 C--N 1.306 -1.705 0 C-N-CA 122.946 2.431 . . . . 0.0 112.026 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 2.5 p -105.15 156.04 36.79 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.377 -179.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -52.18 -36.89 68.6 Favored 'Trans proline' 0 N--CA 1.497 1.69 0 C-N-CA 122.118 1.879 . . . . 0.0 112.229 179.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -64.41 -39.77 94.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.291 0.567 . . . . 0.0 110.579 -179.188 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -65.45 -41.26 93.62 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.377 -179.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 11.7 mt -61.82 -39.36 91.51 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.701 179.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 71.2 tp60 -63.92 -41.87 97.54 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.545 -179.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -65.24 -38.52 90.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.774 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 22.2 mmt -61.15 -42.57 98.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.679 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 61' ' ' ILE . . . . . 0.502 ' O ' ' N ' ' C' ' 65' ' ' ASP . 96.2 mt -65.9 -40.3 87.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.647 179.51 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 60.9 t0 -59.66 -44.93 93.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.072 -179.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -63.99 -40.71 96.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.816 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 93.9 t -81.16 -32.28 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 65' ' ' ASP . . . . . 0.517 ' OD2' ' N ' ' C' ' 69' ' ' SER . 68.0 t0 -76.62 118.28 19.1 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.981 -179.557 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -67.18 -40.97 86.63 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.94 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 67' ' ' ASP . . . . . 0.438 ' OD1' ' OD2' ' C' ' 65' ' ' ASP . 2.3 p30 -82.79 -12.74 57.26 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.082 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 66.11 22.8 70.98 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 110.625 -0.99 . . . . 0.0 110.625 179.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 69' ' ' SER . . . . . 0.517 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 90.7 p -60.51 -22.09 63.19 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.743 0.306 . . . . 0.0 110.807 -179.52 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 93.72 -9.22 73.71 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 72.3 p -130.45 159.92 35.61 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 48.4 t -111.66 124.5 68.48 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-O 121.016 0.436 . . . . 0.0 110.137 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -91.81 -178.76 5.13 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.663 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -59.17 -50.27 74.66 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.428 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 75' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' C' ' 76' ' ' GLU . 43.1 p-10 -68.61 -39.16 80.97 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.741 179.699 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . 0.532 ' N ' ' OD1' ' C' ' 75' ' ' ASP . 98.3 mt-10 -64.67 -39.21 93.29 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.962 0.41 . . . . 0.0 110.551 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -62.81 -41.47 99.31 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -179.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 11.4 tp -62.56 -38.32 89.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.014 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 87.1 t -65.01 -39.82 86.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.627 -179.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 16.4 tmm? -63.78 -39.98 95.56 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.639 -179.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 17.3 ttt -61.7 -50.46 72.36 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.506 -179.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 66.0 t -67.94 -41.69 84.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.696 179.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 38.6 ttt85 -60.46 -42.09 95.5 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-O 120.903 0.382 . . . . 0.0 110.436 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 84' ' ' CYS . . . . . . . . . . . . . 52.6 t -60.49 -44.56 95.83 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.392 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 3.3 mmt -63.36 -60.54 3.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.329 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.681 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.874 0.368 . . . . 0.0 110.768 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 66.1 mtt -63.27 -41.01 98.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.846 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 154' ' ' MET . . . . . . . . . . . . . 37.5 mmt -63.46 -41.64 98.62 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.33 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -64.75 -40.77 95.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.988 0.423 . . . . 0.0 110.552 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.445 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.487 179.707 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' C' ' 11' ' ' GLN . . . . . . . . 0 N--CA 1.456 -0.16 0 CA-C-O 120.81 0.338 . . . . 0.0 110.723 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.95 -44.59 95.65 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.835 -179.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 77.4 t -70.3 -42.35 78.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.277 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -81.78 -17.04 49.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.691 -179.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 11' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' C' ' 7' ' ' ALA . 4.1 tt0 -128.09 33.13 4.79 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.958 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . 0.568 ' N ' ' CD2' ' C' ' 12' ' ' LEU . 0.5 OUTLIER -63.45 172.89 1.8 Allowed 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 121.124 0.488 . . . . 0.0 110.889 179.31 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 60.0 p -88.72 159.15 17.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.103 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -68.95 -32.17 71.57 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.511 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -64.57 -40.58 95.8 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.887 179.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -64.22 -39.74 94.61 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.993 178.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -60.81 -40.62 93.43 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.789 179.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -66.13 -45.95 79.25 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 119.993 -0.683 . . . . 0.0 110.503 -179.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -65.3 -40.4 93.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.552 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . 0.46 ' CG ' ' N ' ' C' ' 21' ' ' LYS . 0.0 OUTLIER -58.43 -51.67 68.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.958 179.74 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' C' C ' 21' ' ' LYS . . . . . 0.46 ' N ' ' CG ' ' C' ' 20' ' ' PHE . 0.8 OUTLIER -62.41 -42.58 99.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.379 -179.863 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.9 -42.92 99.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.991 0.424 . . . . 0.0 110.919 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.62 -40.17 96.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.613 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 24' ' ' PHE . . . . . 0.622 ' CE1' ' CZ ' ' C' ' 74' ' ' PHE . 32.7 t80 -61.69 -41.04 97.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.035 -179.553 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -62.85 -41.42 99.36 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.738 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 97.9 mt -65.74 -44.06 93.31 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 CA-C-O 120.985 0.422 . . . . 0.0 110.726 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -60.55 -42.13 95.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.079 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . 0.626 ' O ' ' N ' ' C' ' 30' ' ' GLY . 25.2 m -91.38 33.47 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.222 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -37.79 83.55 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 O-C-N 123.694 0.621 . . . . 0.0 111.245 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 30' ' ' GLY . . . . . 0.626 ' N ' ' O ' ' C' ' 28' ' ' VAL . . . 56.35 31.81 60.0 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.598 -1.001 . . . . 0.0 110.598 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.52 131.36 45.94 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.596 -179.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -66.28 -29.2 69.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.86 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -85.43 -20.71 29.4 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.889 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 77.23 9.54 86.74 Favored Glycine 0 CA--C 1.521 0.417 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 35' ' ' CYS . . . . . . . . . . . . . 66.8 m -139.95 169.87 16.9 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.811 0.339 . . . . 0.0 110.95 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 4.8 mp -96.3 117.25 40.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.43 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 37' ' ' SER . . . . . 0.471 ' OG ' ' OE1' ' C' ' 40' ' ' GLU . 3.7 p -127.73 -168.83 1.95 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.018 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 82.7 p -65.54 -25.34 67.39 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.486 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -76.73 -48.17 19.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.029 0.443 . . . . 0.0 110.522 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 40' ' ' GLU . . . . . 0.471 ' OE1' ' OG ' ' C' ' 37' ' ' SER . 61.1 mp0 -63.43 -42.94 98.71 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.279 0.562 . . . . 0.0 110.369 -179.344 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 92.7 mt -65.81 -36.04 82.4 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.295 179.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.38 -40.48 96.1 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -66.53 -40.75 89.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.021 0.439 . . . . 0.0 110.376 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 64.9 t -67.45 -42.66 87.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.777 179.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 20.0 mmt -59.96 -36.06 76.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.86 -179.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -53.68 -38.64 64.38 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.045 -179.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 73.4 mtm -72.3 -20.78 61.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.97 0.414 . . . . 0.0 110.647 179.445 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 91.4 mt -86.06 -3.2 58.89 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.477 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.59 16.82 72.37 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -116.04 134.56 54.83 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.042 0.448 . . . . 0.0 110.365 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 -132.43 70.12 79.81 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.557 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -75.49 -170.55 0.83 Allowed 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.868 2.379 . . . . 0.0 112.04 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 16.0 p -111.52 151.47 43.31 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.951 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -45.78 -35.37 13.38 Favored 'Trans proline' 0 C--N 1.314 -1.285 0 C-N-CA 122.29 1.993 . . . . 0.0 112.254 179.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -64.59 -42.6 95.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.12 0.486 . . . . 0.0 110.398 -179.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -69.56 -41.26 76.1 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.402 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.5 -37.92 89.23 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.196 179.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 23.1 tm0? -61.92 -42.95 99.69 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.668 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -63.72 -40.89 97.89 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.478 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 89.9 mmm -61.01 -44.03 98.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.917 0.389 . . . . 0.0 110.321 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 96.1 mt -65.48 -45.86 91.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.518 179.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -57.2 -33.74 67.8 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.897 -179.095 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -60.18 -39.48 86.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 10.7 m -104.97 6.38 10.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.976 -179.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 65' ' ' ASP . . . . . 0.534 ' OD2' ' N ' ' C' ' 69' ' ' SER . 51.1 t0 -84.94 132.89 34.3 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.769 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -85.43 -34.33 21.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.041 179.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 67' ' ' ASP . . . . . 0.472 ' OD1' ' OD1' ' C' ' 65' ' ' ASP . 59.2 p30 -102.81 -9.94 19.53 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.224 -179.791 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 68' ' ' GLY . . . . . 0.466 ' H ' ' CG ' ' C' ' 65' ' ' ASP . . . 70.46 17.29 74.39 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.473 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 69' ' ' SER . . . . . 0.534 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 98.4 p -62.62 -19.09 63.43 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.669 0.271 . . . . 0.0 110.735 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 94.87 5.26 61.23 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 110.859 -0.897 . . . . 0.0 110.859 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 79.1 p -133.39 161.79 33.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.506 0.194 . . . . 0.0 110.599 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 56.0 t -112.09 122.14 65.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.921 0.391 . . . . 0.0 110.153 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 73' ' ' ASP . . . . . 0.509 ' CG ' ' H ' ' C' ' 74' ' ' PHE . 43.5 t0 -90.18 -178.17 5.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.795 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 74' ' ' PHE . . . . . 0.622 ' CZ ' ' CE1' ' C' ' 24' ' ' PHE . 8.3 m-85 -59.43 -51.52 69.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.494 -179.706 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 75' ' ' ASP . . . . . 0.544 ' OD1' ' N ' ' C' ' 76' ' ' GLU . 42.9 p-10 -65.32 -40.77 94.17 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.232 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . 0.544 ' N ' ' OD1' ' C' ' 75' ' ' ASP . 98.8 mt-10 -64.25 -39.4 93.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.231 179.625 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -62.65 -43.08 99.72 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.151 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 27.0 tp -62.72 -39.94 95.61 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.449 -179.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 68.5 t -63.09 -46.99 94.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.299 -179.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 80' ' ' MET . . . . . 0.442 ' C ' ' SD ' ' C' ' 80' ' ' MET . 0.0 OUTLIER -70.7 -23.88 62.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.006 0.431 . . . . 0.0 110.258 -179.346 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' C' C ' 81' ' ' MET . . . . . 0.5 ' O ' ' SG ' ' C' ' 84' ' ' CYS . 14.9 tpt -66.61 -52.43 45.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.601 -179.513 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 76.3 t -70.94 -42.0 77.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.623 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 49.9 ttm-85 -60.97 -46.82 89.21 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.097 -179.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 84' ' ' CYS . . . . . 0.5 ' SG ' ' O ' ' C' ' 81' ' ' MET . 21.1 p -65.19 -31.93 73.36 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.606 -0.438 . . . . 0.0 110.325 -179.706 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 10.5 tpt -66.97 -40.47 87.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.93 0.395 . . . . 0.0 110.465 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp . . . . . 0 C--N 1.332 -0.195 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.777 -179.727 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.789 0.328 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' I' I ' 153' ' ' MET . . . . . 0.498 ' SD ' ' O ' ' I' ' 153' ' ' MET . 0.0 OUTLIER -59.78 -45.12 93.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.309 -179.252 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' I' I ' 154' ' ' MET . . . . . . . . . . . . . 36.5 mmt -62.63 -39.82 95.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.224 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -61.38 -51.85 67.07 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.568 -179.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 -0.315 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.262 179.48 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.385 0 N-CA-C 110.444 -0.206 . . . . 0.0 110.444 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.36 -46.58 88.0 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.059 -0.656 . . . . 0.0 110.731 -179.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 61.4 t -63.75 -46.79 93.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.808 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 40.5 tp10 -66.87 -34.07 76.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.189 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 11' ' ' GLN . . . . . 0.44 ' O ' ' C ' ' C' ' 12' ' ' LEU . 66.7 tt0 -61.1 -38.03 84.86 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.367 -179.287 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' C' ' 11' ' ' GLN . 91.0 mt -34.65 132.35 0.31 Allowed 'General case' 0 N--CA 1.464 0.258 0 O-C-N 123.355 0.41 . . . . 0.0 110.827 -179.522 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 13' ' ' THR . . . . . 0.436 ' OG1' ' OE1' ' C' ' 16' ' ' GLN . 67.9 p -75.72 166.03 24.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.802 -179.646 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -61.21 -33.69 73.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.287 0.565 . . . . 0.0 110.622 -179.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -73.11 -44.15 60.7 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.72 179.197 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 16' ' ' GLN . . . . . 0.436 ' OE1' ' OG1' ' C' ' 13' ' ' THR . 2.2 mp0 -59.09 -44.16 91.9 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.389 179.689 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -62.97 -39.45 94.71 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.513 179.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -63.51 -39.95 95.78 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 120.055 -0.658 . . . . 0.0 110.901 -179.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -60.96 -43.66 98.43 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 120.95 0.405 . . . . 0.0 111.074 -179.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -64.7 -41.11 96.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.128 0.49 . . . . 0.0 110.393 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 40.0 tptt -62.0 -39.97 94.05 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.975 179.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.59 -42.77 93.28 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.789 -0.365 . . . . 0.0 110.108 -179.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.96 -39.98 96.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.344 179.132 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -60.21 -45.95 91.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.42 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -59.49 -45.64 91.1 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.915 0.388 . . . . 0.0 110.754 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 87.8 mt -63.44 -39.57 85.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.148 0.499 . . . . 0.0 110.666 179.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -56.96 -38.11 72.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.156 -179.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . 0.416 ' O ' ' C ' ' C' ' 29' ' ' LEU . 34.8 m -92.26 30.84 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.747 179.579 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 29' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' C' ' 28' ' ' VAL . 0.9 OUTLIER -35.35 -40.31 0.14 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.052 -179.911 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . -151.93 52.18 0.49 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.074 -0.811 . . . . 0.0 111.074 179.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -93.66 121.09 34.73 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.48 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -63.33 -39.54 94.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.683 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 56.8 p30 -79.5 -14.31 58.97 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.81 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.83 18.67 80.11 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 179.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 35' ' ' CYS . . . . . . . . . . . . . 80.3 m -131.38 171.56 13.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.92 0.39 . . . . 0.0 110.854 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 1.2 mm -94.21 121.97 45.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.074 -179.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 37' ' ' SER . . . . . 0.451 ' OG ' ' OE1' ' C' ' 40' ' ' GLU . 34.9 p -129.09 -167.06 1.73 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.103 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 71.5 p -64.55 -22.54 67.0 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.416 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.11 -49.28 11.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.833 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 40' ' ' GLU . . . . . 0.451 ' OE1' ' OG ' ' C' ' 37' ' ' SER . 28.1 mp0 -61.97 -40.51 95.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.539 179.671 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 4.3 tp -70.53 -36.05 73.51 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.224 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.29 -40.8 97.92 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 -179.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 52.7 tttp -71.4 -39.23 71.27 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 121.214 0.53 . . . . 0.0 110.2 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.47 -39.52 81.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.651 179.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 9.2 mmt -51.69 -18.73 1.3 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.321 -178.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 24.6 mmt85 -61.47 -37.06 82.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.3 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 65.0 mtt -62.02 -40.07 94.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.132 -179.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 81.4 mt -66.99 -30.28 70.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.49 179.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 99.2 26.76 8.59 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -142.97 160.65 39.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.901 0.382 . . . . 0.0 110.659 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -141.47 80.14 16.62 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.475 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -60.27 -157.86 0.02 OUTLIER 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.939 2.426 . . . . 0.0 111.906 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 16.6 p -114.23 150.3 43.47 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 115.439 -0.801 . . . . 0.0 111.53 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -62.24 -28.19 78.94 Favored 'Trans proline' 0 N--CA 1.495 1.588 0 C-N-CA 122.029 1.82 . . . . 0.0 112.864 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 55' ' ' GLU . . . . . 0.473 ' CG ' ' N ' ' C' ' 56' ' ' GLU . 8.0 pt-20 -63.19 -49.28 74.85 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.014 0.435 . . . . 0.0 111.98 -179.074 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . 0.473 ' N ' ' CG ' ' C' ' 55' ' ' GLU . 11.7 pt-20 -71.54 -31.27 66.83 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.357 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 79.0 mt -62.36 -40.83 97.72 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.19 0.519 . . . . 0.0 110.128 179.174 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -67.9 -39.55 83.58 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.823 179.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -59.58 -42.95 93.65 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.321 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 75.5 mtm -64.02 -41.27 97.51 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.612 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 87.0 mt -61.84 -43.52 97.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 CA-C-O 121.175 0.512 . . . . 0.0 110.293 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -61.0 -38.41 85.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.636 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -60.81 -45.96 92.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.649 -0.251 . . . . 0.0 111.195 -179.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 10.7 p -81.82 -31.88 11.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 120.629 -0.429 . . . . 0.0 111.165 -179.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 65' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -70.24 126.31 29.28 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.569 -0.453 . . . . 0.0 110.562 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 66' ' ' GLU . . . . . 0.459 ' N ' ' OE1' ' C' ' 66' ' ' GLU . 59.9 mp0 -86.58 -16.15 37.69 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.405 179.119 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 58.3 p30 -104.35 -10.89 17.46 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.974 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 67.07 22.6 72.53 Favored Glycine 0 CA--C 1.52 0.394 0 N-CA-C 110.557 -1.017 . . . . 0.0 110.557 179.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 96.4 p -59.64 -28.2 67.03 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.998 -179.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 93.23 -1.58 70.16 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 68.2 p -132.81 163.85 28.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.728 0.299 . . . . 0.0 110.72 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 95.8 t -117.2 126.12 74.34 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.479 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -94.37 177.19 6.03 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.727 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -58.71 -49.29 78.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.214 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -61.93 -44.09 97.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.881 0.372 . . . . 0.0 110.146 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -65.2 -40.22 93.9 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.091 0.472 . . . . 0.0 110.132 178.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -59.63 -47.15 86.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.354 178.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 6.8 tp -63.4 -39.53 94.76 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.311 -0.556 . . . . 0.0 110.001 -179.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 73.3 t -63.33 -44.12 98.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.44 -179.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 1.9 ptt? -68.66 -30.99 69.8 Favored 'General case' 0 CA--C 1.519 -0.217 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 -178.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.67 -47.66 62.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.04 -179.605 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 70.4 t -63.6 -45.06 98.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.549 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 20.9 mtt180 -61.9 -44.54 96.59 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.765 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 84' ' ' CYS . . . . . . . . . . . . . 98.1 m -65.45 -40.1 92.82 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.659 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 85' ' ' MET . . . . . 0.433 ' SD ' ' C ' ' C' ' 85' ' ' MET . 0.7 OUTLIER -62.9 -44.07 97.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.688 -179.098 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.669 -179.872 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.217 0 CA-C-O 120.883 0.373 . . . . 0.0 110.507 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 58.2 ttm -70.1 -40.57 74.87 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 121.281 0.562 . . . . 0.0 110.568 179.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 154' ' ' MET . . . . . . . . . . . . . 2.0 mtt -60.7 -23.43 64.87 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.224 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 69.3 tp60 -61.69 -42.02 98.36 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.065 -179.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.148 179.554 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 1' ' ' MET . . . . . 0.545 ' C ' ' H ' ' C' ' 3' ' ' ASP . 35.1 ttm . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 2' ' ' ASP . . . . . 0.475 ' N ' ' CG ' ' C' ' 1' ' ' MET . 1.1 m-20 -60.86 2.02 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.753 179.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 3' ' ' ASP . . . . . 0.545 ' H ' ' C ' ' C' ' 1' ' ' MET . 97.9 m-20 -61.23 -37.01 81.51 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.304 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 4' ' ' ILE . . . . . 0.418 ' CG2' ' N ' ' C' ' 5' ' ' TYR . 14.9 tt -58.37 -40.4 78.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.732 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 5' ' ' TYR . . . . . 0.418 ' N ' ' CG2' ' C' ' 4' ' ' ILE . 42.2 m-85 -67.53 -38.92 84.95 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.631 179.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -58.95 -49.64 77.06 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.61 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.58 -40.19 95.09 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.55 179.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.48 -41.93 92.75 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.501 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 55.8 t -69.26 -43.29 81.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.674 179.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -62.22 -40.71 97.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.288 -179.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -64.42 -37.77 88.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.299 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . 0.546 ' O ' ' NZ ' ' C' ' 17' ' ' LYS . 0.9 OUTLIER -47.87 143.88 3.84 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.661 -179.606 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 71.1 p -78.63 162.86 25.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.539 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 14' ' ' GLU . . . . . 0.427 ' O ' ' OD1' ' C' ' 18' ' ' ASN . 96.9 mt-10 -63.02 -37.35 86.82 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.565 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -66.21 -42.88 88.14 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.785 -179.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 16' ' ' GLN . . . . . 0.454 ' O ' ' CD2' ' C' ' 20' ' ' PHE . 58.6 mt-30 -61.36 -41.67 97.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.898 179.458 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' LYS . . . . . 0.546 ' NZ ' ' O ' ' C' ' 12' ' ' LEU . 51.2 mttp -65.21 -39.55 92.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.829 179.3 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' ASN . . . . . 0.427 ' OD1' ' O ' ' C' ' 14' ' ' GLU . 27.2 m120 -62.43 -39.36 93.08 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.978 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.03 -45.77 92.12 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.747 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . 0.454 ' CD2' ' O ' ' C' ' 16' ' ' GLN . 47.7 m-85 -69.59 -38.93 77.53 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.619 179.465 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -60.22 -40.24 89.49 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.148 179.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.26 -42.25 98.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.3 179.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.45 -38.2 88.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.398 178.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -57.92 -47.66 82.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.405 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -59.46 -39.79 84.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.29 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 93.6 mt -68.33 -39.74 81.42 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.241 0 CA-C-O 121.199 0.523 . . . . 0.0 110.597 179.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 27' ' ' PHE . . . . . 0.441 ' C ' ' H ' ' C' ' 29' ' ' LEU . 2.6 m-85 -57.96 -41.35 82.68 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.238 -178.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 27.0 m -78.23 20.38 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.928 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 29' ' ' LEU . . . . . 0.441 ' H ' ' C ' ' C' ' 27' ' ' PHE . 3.6 pp -59.68 -10.41 3.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.515 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . -119.46 8.61 12.03 Favored Glycine 0 CA--C 1.519 0.321 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 -179.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 31' ' ' ALA . . . . . 0.409 ' CB ' ' O ' ' C' ' 35' ' ' CYS . . . -126.04 125.35 42.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.823 0.344 . . . . 0.0 110.641 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -81.49 -31.06 33.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.893 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -72.13 -15.58 61.98 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.526 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 89.23 10.54 65.89 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 35' ' ' CYS . . . . . 0.409 ' O ' ' CB ' ' C' ' 31' ' ' ALA . 75.3 m -101.59 150.93 22.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.793 0.33 . . . . 0.0 110.465 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 84.3 mt -102.6 121.34 53.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.118 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 49.6 m -122.16 -168.63 1.75 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.581 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 73.1 p -64.43 -31.37 72.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.349 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 63.6 mmtt -62.45 -45.15 94.37 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.781 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 46.7 mp0 -64.88 -42.78 94.52 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.728 179.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 10.9 tp -68.07 -35.97 79.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.192 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.53 -40.99 98.55 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.786 -0.926 . . . . 0.0 110.786 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -66.52 -40.2 89.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.866 0.365 . . . . 0.0 110.595 179.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 74.7 t -63.29 -47.16 93.41 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.518 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 27.3 mtt -63.24 -38.78 92.5 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.864 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -57.57 -43.72 84.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.368 -179.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 51.3 ttm -62.82 -39.12 93.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.065 0.46 . . . . 0.0 110.579 178.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 95.6 mt -65.57 -18.92 65.68 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.572 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.41 8.32 41.05 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -104.8 131.98 51.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.839 0.352 . . . . 0.0 110.466 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 51' ' ' ASN . . . . . 0.44 ' N ' ' OD1' ' C' ' 51' ' ' ASN . 21.3 p-10 -136.22 64.68 54.83 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.807 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -72.36 -167.38 0.32 Allowed 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 123.011 2.474 . . . . 0.0 112.02 179.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 53' ' ' THR . . . . . 0.494 ' H ' ' HG1' ' C' ' 53' ' ' THR . 2.2 p -90.26 151.51 44.73 Favored Pre-proline 0 C--O 1.242 0.658 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.091 -179.447 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -61.84 -30.36 84.13 Favored 'Trans proline' 0 C--N 1.308 -1.591 0 C-N-CA 122.463 2.109 . . . . 0.0 112.217 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -62.56 -36.25 82.06 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.13 -0.487 . . . . 0.0 109.85 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -68.71 -40.78 79.79 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.201 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 8.9 mp -60.37 -40.96 92.66 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.842 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 58' ' ' GLN . . . . . 0.535 ' NE2' ' OD2' ' C' ' 62' ' ' ASP . 25.8 tm0? -66.2 -42.12 89.23 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 -64.37 -39.21 93.43 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.129 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -60.06 -44.95 94.37 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.987 0.422 . . . . 0.0 110.499 -179.437 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 61' ' ' ILE . . . . . 0.496 ' O ' ' N ' ' C' ' 65' ' ' ASP . 87.4 mt -60.48 -41.45 87.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.211 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 62' ' ' ASP . . . . . 0.535 ' OD2' ' NE2' ' C' ' 58' ' ' GLN . 95.4 m-20 -59.69 -39.01 83.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.606 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -61.91 -41.43 97.91 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.394 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 53.8 t -85.43 -32.06 7.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 65' ' ' ASP . . . . . 0.506 ' OD2' ' N ' ' C' ' 69' ' ' SER . 47.7 t0 -83.81 116.51 22.75 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.547 -179.578 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -72.01 -34.69 69.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.51 -179.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.66 -14.83 56.15 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.041 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 65.67 20.03 67.74 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.5 -1.04 . . . . 0.0 110.5 179.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 69' ' ' SER . . . . . 0.506 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 84.5 p -60.6 -21.59 62.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.792 0.329 . . . . 0.0 110.72 -179.179 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 86.77 5.24 81.65 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 69.4 p -128.94 152.76 48.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.721 0.296 . . . . 0.0 110.494 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 94.1 t -119.31 124.48 73.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.672 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -103.01 -177.36 3.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.746 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -58.89 -48.16 82.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.706 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -60.32 -46.24 90.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.617 -179.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -65.89 -40.15 91.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.929 0.395 . . . . 0.0 110.597 178.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -60.16 -46.02 91.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.352 178.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 62.3 tp -60.12 -44.65 94.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.466 -179.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 57.5 t -63.05 -42.6 97.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.895 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 43.3 ttp -63.6 -39.03 93.32 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.167 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 81' ' ' MET . . . . . 0.457 ' C ' ' SD ' ' C' ' 81' ' ' MET . 0.0 OUTLIER -63.84 -47.46 80.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.695 -179.113 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 75.8 t -66.68 -42.0 88.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.58 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 77.1 ttt-85 -60.85 -44.45 96.97 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.709 -178.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 84' ' ' CYS . . . . . . . . . . . . . 92.0 m -62.8 -41.71 99.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.803 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 8.0 tpt -66.49 -44.62 82.12 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.604 -179.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 86' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' C' ' 88' ' ' ASP . 62.3 tttp -62.37 -40.28 95.93 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.752 179.506 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 87' ' ' ASP . . . . . 0.422 ' OD1' ' O ' ' C' ' 87' ' ' ASP . 60.1 t0 -38.85 -27.65 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.671 -179.462 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 88' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' C' ' 86' ' ' LYS . 38.2 t70 -122.6 73.42 1.12 Allowed 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.567 179.221 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 24.6 t . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.656 179.799 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' I' I ' 144' ' ' ARG . . . . . . . . . . . . . 2.7 tpp180 . . . . . 0 N--CA 1.488 1.428 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' I' I ' 145' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 51.13 42.73 29.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.428 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 146' ' ' VAL . . . . . . . . . . . . . 31.5 m -54.14 156.69 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.541 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.28 141.95 47.99 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.671 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 148' ' ' ILE . . . . . . . . . . . . . 15.2 mt 47.92 76.45 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.627 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 149' ' ' SER . . . . . 0.484 ' O ' ' CB ' ' I' ' 150' ' ' ALA . 89.4 p -62.54 -37.72 87.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.491 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 150' ' ' ALA . . . . . 0.484 ' CB ' ' O ' ' I' ' 149' ' ' SER . . . 162.16 -25.64 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.579 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 151' ' ' ASP . . . . . 0.465 ' O ' ' OE1' ' I' ' 155' ' ' GLN . 1.3 p30 -66.53 -47.28 73.41 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.816 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . -60.82 -40.81 94.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.559 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 26.5 ttm -63.48 -43.33 97.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.851 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 154' ' ' MET . . . . . 0.496 ' O ' ' O ' ' I' ' 157' ' ' LEU . 0.0 OUTLIER -59.09 -37.86 78.14 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.388 -179.347 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' I' I ' 155' ' ' GLN . . . . . 0.494 HE22 ' NE2' ' I' ' 162' ' ' HIS . 5.7 mp0 -72.23 -34.37 68.26 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.851 0.358 . . . . 0.0 110.81 179.226 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . -60.09 -38.75 83.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.449 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 157' ' ' LEU . . . . . 0.496 ' O ' ' O ' ' I' ' 154' ' ' MET . 1.4 pp -120.62 177.7 4.97 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.637 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 158' ' ' LEU . . . . . . . . . . . . . 35.4 tp -59.01 -78.1 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.442 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 159' ' ' GLY . . . . . . . . . . . . . . . 49.62 -133.23 26.45 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 178.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 160' ' ' ALA . . . . . . . . . . . . . . . -115.17 138.61 50.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.866 0.365 . . . . 0.0 110.616 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 161' ' ' ARG . . . . . 0.581 ' O ' ' CG ' ' I' ' 162' ' ' HIS . 76.3 ttt180 -62.27 -37.03 83.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.546 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 162' ' ' HIS . . . . . 0.581 ' CG ' ' O ' ' I' ' 161' ' ' ARG . 22.3 p80 46.29 24.09 0.25 Allowed 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.18 0.514 . . . . 0.0 110.408 -179.336 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 163' ' ' LYS . . . . . . . . . . . . . 67.1 mttm 52.9 -134.46 1.67 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.354 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 164' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -97.2 -4.69 38.59 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.43 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 165' ' ' SER . . . . . . . . . . . . . 92.6 p -171.4 170.21 5.97 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.5 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 166' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -106.01 -69.69 0.82 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.625 179.41 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 167' ' ' ASP . . . . . . . . . . . . . 46.7 p-10 -138.94 24.51 2.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.676 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 168' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -101.72 132.23 47.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.789 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 169' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 -73.39 122.61 22.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.557 -179.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 170' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.005 -0.998 . . . . 0.0 110.547 179.977 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 4.1 tpp . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -65.28 -24.8 67.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.79 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -62.45 -22.88 66.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.845 -179.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 20.5 tt -58.75 -36.8 62.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.563 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 5' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -69.6 -40.91 76.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.875 0.369 . . . . 0.0 110.531 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 32.9 mmtm -63.1 -42.95 99.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.052 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.3 -39.11 89.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.431 178.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.83 -42.21 97.69 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.549 -179.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 57.6 t -62.2 -47.38 93.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.643 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -67.21 -40.7 86.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.743 179.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.35 -38.9 91.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.944 -179.493 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 1.2 mp -50.21 137.17 18.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.921 0.391 . . . . 0.0 110.992 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 13' ' ' THR . . . . . 0.52 ' HG1' ' H ' ' C' ' 16' ' ' GLN . 72.1 p -77.07 165.78 24.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.522 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -61.04 -37.34 82.25 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.949 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -65.36 -41.14 94.14 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.801 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 16' ' ' GLN . . . . . 0.52 ' H ' ' HG1' ' C' ' 13' ' ' THR . 88.0 mt-30 -63.58 -40.87 98.05 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.048 179.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 7.0 mtpt -66.19 -38.63 88.46 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.177 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -61.18 -43.02 99.54 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 119.913 -0.715 . . . . 0.0 110.369 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -63.32 -40.01 96.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.59 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . 0.473 ' CD1' ' C ' ' C' ' 20' ' ' PHE . 0.0 OUTLIER -61.16 -43.87 98.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.522 179.51 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -59.44 -40.97 88.52 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.731 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.55 -42.24 99.41 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.462 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.87 -41.33 99.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.744 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 24' ' ' PHE . . . . . 0.637 ' CD2' ' CE1' ' C' ' 74' ' ' PHE . 55.1 t80 -60.35 -43.35 96.59 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.322 -179.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -59.19 -41.14 87.81 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.058 0.456 . . . . 0.0 110.366 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 97.0 mt -68.86 -41.78 82.29 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 CA-C-O 121.044 0.45 . . . . 0.0 110.675 179.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -56.47 -40.05 74.21 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.957 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 33.5 m -83.28 26.09 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 120.919 -0.313 . . . . 0.0 110.878 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 1.5 pp -45.0 -31.98 1.49 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.048 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . -118.54 23.98 8.75 Favored Glycine 0 CA--C 1.529 0.928 0 N-CA-C 111.799 -0.52 . . . . 0.0 111.799 -179.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 31' ' ' ALA . . . . . 0.508 ' N ' ' OE2' ' C' ' 40' ' ' GLU . . . -135.89 94.25 3.04 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.158 0.504 . . . . 0.0 110.628 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -73.1 -11.11 60.43 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.173 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -83.56 -11.45 57.35 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.437 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 81.96 22.43 59.46 Favored Glycine 0 CA--C 1.522 0.489 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 35' ' ' CYS . . . . . . . . . . . . . 75.2 m -123.63 142.49 51.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.888 0.375 . . . . 0.0 110.836 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 3.4 mt -107.2 124.38 63.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.2 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 37' ' ' SER . . . . . 0.48 ' HG ' ' H ' ' C' ' 38' ' ' THR . 41.4 t -123.32 -166.17 1.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.337 -179.668 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 38' ' ' THR . . . . . 0.48 ' H ' ' HG ' ' C' ' 37' ' ' SER . 70.6 p -66.14 -29.73 70.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.719 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 39' ' ' LYS . . . . . 0.574 ' CB ' ' NZ ' ' C' ' 39' ' ' LYS . 0.0 OUTLIER -61.71 -50.74 71.23 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.656 -0.418 . . . . 0.0 110.814 -179.595 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 40' ' ' GLU . . . . . 0.508 ' OE2' ' N ' ' C' ' 31' ' ' ALA . 49.3 mt-10 -70.33 -39.3 74.81 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 120.335 -0.546 . . . . 0.0 111.12 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 1.5 tp -65.53 -39.56 91.93 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -179.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.77 -38.66 96.3 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.27 -42.32 93.31 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.085 0.469 . . . . 0.0 110.593 -179.368 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 65.2 t -63.37 -41.28 92.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.208 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 22.1 mmt -60.57 -40.52 91.96 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.67 -179.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 61.0 mtm180 -62.52 -39.19 92.78 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.143 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 7.7 mmm -62.4 -38.7 90.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.123 0.487 . . . . 0.0 110.27 179.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 93.9 mt -68.39 -16.68 64.01 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.608 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 101.19 9.21 45.49 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -109.98 141.43 42.77 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.754 0.311 . . . . 0.0 110.2 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -139.9 73.43 33.47 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.702 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -77.63 -171.07 1.08 Allowed 'Trans proline' 0 C--N 1.307 -1.635 0 C-N-CA 122.786 2.324 . . . . 0.0 112.166 -179.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 7.9 p -92.18 154.51 43.15 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.46 -179.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_exo -52.15 -38.26 70.81 Favored 'Trans proline' 0 N--CA 1.497 1.721 0 C-N-CA 121.801 1.667 . . . . 0.0 112.489 179.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -61.82 -37.04 82.92 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.075 0.464 . . . . 0.0 111.27 -178.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -66.72 -40.95 88.62 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.053 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 82.4 mt -62.72 -40.92 98.69 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.395 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 71.6 tp60 -66.41 -41.4 89.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.148 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -63.79 -40.01 95.62 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.791 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 8.4 mmt -60.15 -43.59 95.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.425 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 61' ' ' ILE . . . . . 0.403 ' O ' ' N ' ' C' ' 65' ' ' ASP . 96.7 mt -67.85 -39.47 81.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.012 179.365 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -58.92 -39.45 81.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.573 -179.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -61.21 -38.78 87.79 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.535 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 46.5 t -89.97 -31.23 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.256 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 65' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' C' ' 61' ' ' ILE . 66.4 t0 -79.88 116.38 20.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.11 -178.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -76.51 -38.17 55.59 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.953 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 67' ' ' ASP . . . . . 0.43 ' OD2' ' OG ' ' C' ' 69' ' ' SER . 0.5 OUTLIER -76.53 -12.89 60.1 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.0 -179.432 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.71 14.27 67.2 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.536 -1.025 . . . . 0.0 110.536 179.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 69' ' ' SER . . . . . 0.43 ' OG ' ' OD2' ' C' ' 67' ' ' ASP . 98.1 p -62.16 -22.87 66.22 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 121.084 -0.247 . . . . 0.0 110.805 -179.346 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 88.18 6.13 75.36 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 58.7 p -133.83 159.26 41.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.514 0.197 . . . . 0.0 110.532 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 47.1 t -117.1 124.31 72.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 56.1 p30 -94.53 -169.97 2.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.043 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 74' ' ' PHE . . . . . 0.637 ' CE1' ' CD2' ' C' ' 24' ' ' PHE . 5.9 m-85 -60.87 -50.75 72.15 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -63.02 -44.65 95.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.215 -179.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -65.27 -41.65 93.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.307 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -61.95 -46.04 91.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.415 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 47.7 tp -60.87 -41.48 96.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.97 -178.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.24 -40.27 87.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.329 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 64.8 ttp -63.52 -39.33 94.15 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.078 -179.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 23.2 ttt -61.85 -46.11 90.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.491 -179.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 66.5 t -65.41 -40.99 90.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.698 179.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 3.5 ttp85 -56.67 -43.41 80.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.367 -178.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 84' ' ' CYS . . . . . . . . . . . . . 54.1 t -61.5 -45.7 93.1 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.287 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 18.9 mmt -61.41 -28.96 69.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.443 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 67.3 mmtt -90.1 7.46 37.73 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.56 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 87' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -39.64 110.55 0.15 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.399 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -125.1 74.51 1.37 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.326 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.324 -0.505 0 CA-C-O 117.931 -1.033 . . . . 0.0 110.374 179.905 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' I' I ' 144' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' I' I ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.03 -7.24 16.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.425 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 146' ' ' VAL . . . . . . . . . . . . . 14.3 p -56.84 -29.47 30.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.578 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 147' ' ' ARG . . . . . . . . . . . . . 9.2 ptt-85 -111.79 168.06 9.87 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.498 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 148' ' ' ILE . . . . . . . . . . . . . 11.8 tt -86.18 163.14 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.508 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 149' ' ' SER . . . . . . . . . . . . . 30.3 t -57.23 125.65 23.69 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.159 0.504 . . . . 0.0 110.462 -179.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 150' ' ' ALA . . . . . . . . . . . . . . . -62.28 -38.27 88.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.124 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 151' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -59.6 -42.53 92.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.296 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . -60.83 -43.7 97.93 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.528 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 50.6 ttm -61.87 -46.35 89.81 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.589 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 154' ' ' MET . . . . . . . . . . . . . 10.5 mmt -62.7 -39.91 95.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.696 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -60.95 -43.9 98.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.645 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . -62.22 -44.08 97.38 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.802 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 157' ' ' LEU . . . . . . . . . . . . . 90.1 mt -66.17 -41.38 90.38 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 158' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -135.46 107.52 7.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.404 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 159' ' ' GLY . . . . . . . . . . . . . . . -95.13 10.36 69.83 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 160' ' ' ALA . . . . . . . . . . . . . . . -144.24 158.53 43.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.718 0.294 . . . . 0.0 110.708 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 161' ' ' ARG . . . . . . . . . . . . . 44.8 mtm105 55.76 46.43 22.45 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.782 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 162' ' ' HIS . . . . . 0.538 ' CE1' ' O ' ' I' ' 163' ' ' LYS . 0.0 OUTLIER -157.06 121.27 4.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.642 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' I' I ' 163' ' ' LYS . . . . . 0.538 ' O ' ' CE1' ' I' ' 162' ' ' HIS . 46.7 mmtm -73.72 147.07 43.92 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.227 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 164' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -56.04 -21.32 20.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.728 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 165' ' ' SER . . . . . . . . . . . . . 44.5 t -94.67 -22.42 18.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.73 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 166' ' ' LEU . . . . . . . . . . . . . 2.4 tp 71.45 144.92 0.06 Allowed 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.65 -179.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 167' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -94.03 167.94 11.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.677 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 168' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -76.33 -36.46 58.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.429 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 169' ' ' ARG . . . . . . . . . . . . . 23.2 ptt-85 -124.38 115.87 21.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.28 0.562 . . . . 0.0 110.677 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 170' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.528 0 CA-C-O 118.047 -0.978 . . . . 0.0 110.277 179.906 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 1' ' ' MET . . . . . 0.552 ' SD ' ' N ' ' C' ' 1' ' ' MET . 0.8 OUTLIER . . . . . 0 N--CA 1.489 1.496 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 44.7 p-10 -68.55 -4.58 15.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.257 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 3' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' C' ' 4' ' ' ILE . 46.1 p-10 -63.36 -32.59 74.05 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.252 179.675 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 4' ' ' ILE . . . . . 0.506 ' N ' ' OD1' ' C' ' 3' ' ' ASP . 91.0 mt -62.16 -47.64 92.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 121.073 0.464 . . . . 0.0 110.849 179.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 5' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -67.06 -40.08 87.03 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.624 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . 0.445 ' O ' ' OE1' ' C' ' 10' ' ' GLU . 27.5 ttmt -60.17 -47.02 87.7 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 179.711 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.36 -40.84 98.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.285 178.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.99 -41.89 99.7 Favored 'General case' 0 C--N 1.333 -0.152 0 C-N-CA 120.307 -0.557 . . . . 0.0 110.068 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 53.0 t -61.71 -46.85 95.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.124 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . 0.445 ' OE1' ' O ' ' C' ' 6' ' ' LYS . 3.5 mp0 -70.45 -38.45 74.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.765 179.645 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -70.72 -19.54 62.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.081 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 2.5 tp -54.24 148.45 11.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.924 0.392 . . . . 0.0 110.462 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 68.9 p -76.97 161.88 28.02 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.64 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -64.57 -39.41 93.69 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.354 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -62.82 -44.08 97.11 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.748 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -63.05 -40.71 98.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.153 0.502 . . . . 0.0 109.804 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 14.5 mmmt -63.11 -40.74 98.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.457 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -65.83 -39.77 91.14 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.443 -0.503 . . . . 0.0 111.264 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -62.1 -40.74 96.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.982 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -74.63 -38.61 62.47 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.096 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 24.4 ttpp -58.93 -41.41 87.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.299 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.2 -41.75 97.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.891 0.377 . . . . 0.0 110.222 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.62 -40.0 95.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.46 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -58.66 -45.83 88.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.098 -179.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -59.3 -44.02 92.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.069 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 87.0 mt -65.57 -42.94 94.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.906 179.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -59.44 -39.65 84.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.032 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . 0.644 ' O ' ' N ' ' C' ' 30' ' ' GLY . 22.1 m -94.42 34.44 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.431 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -38.32 80.28 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.89 0.744 . . . . 0.0 111.622 -179.543 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 30' ' ' GLY . . . . . 0.644 ' N ' ' O ' ' C' ' 28' ' ' VAL . . . 64.72 31.02 79.53 Favored Glycine 0 CA--C 1.528 0.853 0 N-CA-C 110.665 -0.974 . . . . 0.0 110.665 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.55 132.68 13.68 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.296 -179.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -62.81 -42.85 99.89 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.633 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 56.8 p-10 -85.19 -12.72 52.01 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.965 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 79.92 11.09 84.93 Favored Glycine 0 CA--C 1.52 0.379 0 N-CA-C 110.687 -0.965 . . . . 0.0 110.687 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 35' ' ' CYS . . . . . . . . . . . . . 78.4 m -133.52 164.28 27.52 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.356 -0.422 . . . . 0.0 110.776 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 80.5 mt -90.8 119.87 38.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 96.6 p -123.96 -169.2 1.91 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.915 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 73.9 p -62.39 -31.94 72.69 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.354 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -65.55 -46.49 79.29 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 121.188 0.518 . . . . 0.0 110.689 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -65.34 -39.79 92.83 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.396 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 1.4 mp -60.48 -40.31 90.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.201 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.04 -39.25 95.47 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.77 -49.81 69.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.312 0.577 . . . . 0.0 110.317 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 77.3 t -62.37 -45.25 99.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 22.0 mmt -60.91 -36.98 80.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.624 -179.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 15.9 ttp85 -53.1 -37.14 61.47 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.126 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 97.7 mtp -63.71 -39.75 95.07 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.228 0.537 . . . . 0.0 110.304 179.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 97.2 mt -68.45 -21.77 64.62 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.563 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 98.93 13.03 41.29 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 89.4 mm-40 -109.34 137.4 47.26 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.064 0.459 . . . . 0.0 111.246 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 41.4 t-20 -139.17 73.75 37.25 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.408 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -77.5 -176.04 3.0 Favored 'Trans proline' 0 C--N 1.308 -1.58 0 C-N-CA 122.535 2.157 . . . . 0.0 111.924 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 74.4 p -79.69 149.41 71.12 Favored Pre-proline 0 CA--C 1.539 0.555 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.471 -179.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -65.66 -32.71 47.07 Favored 'Trans proline' 0 N--CA 1.495 1.587 0 C-N-CA 121.82 1.68 . . . . 0.0 112.196 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 55' ' ' GLU . . . . . 0.459 ' CG ' ' N ' ' C' ' 56' ' ' GLU . 21.5 pt-20 -65.65 -42.84 90.95 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.207 -179.098 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . 0.459 ' N ' ' CG ' ' C' ' 55' ' ' GLU . 1.3 pp20? -73.6 -30.23 62.87 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.149 -0.62 . . . . 0.0 109.387 -179.111 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 65.6 mt -62.62 -39.8 94.93 Favored 'General case' 0 CA--C 1.515 -0.392 0 C-N-CA 120.403 -0.519 . . . . 0.0 109.822 178.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -68.05 -39.51 83.02 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 119.755 -0.778 . . . . 0.0 109.858 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.01 -40.61 96.28 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.535 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 89.3 mtp -61.03 -43.27 99.13 Favored 'General case' 0 CA--C 1.516 -0.329 0 C-N-CA 119.915 -0.714 . . . . 0.0 110.474 178.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 61' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' C' ' 65' ' ' ASP . 95.2 mt -64.18 -43.2 97.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 120.33 -0.548 . . . . 0.0 110.397 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.22 -41.92 94.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.04 -179.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.1 -41.8 97.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.869 0.366 . . . . 0.0 110.812 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 86.5 t -80.07 -32.27 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.731 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 65' ' ' ASP . . . . . 0.503 ' OD2' ' N ' ' C' ' 69' ' ' SER . 68.0 t0 -77.5 115.44 17.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.596 -179.258 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -62.17 -39.92 94.28 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.842 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 67' ' ' ASP . . . . . 0.449 ' OD1' ' OG ' ' C' ' 69' ' ' SER . 0.1 OUTLIER -83.76 -11.95 56.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.699 -179.638 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 66.52 23.03 71.87 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.575 -1.01 . . . . 0.0 110.575 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 69' ' ' SER . . . . . 0.503 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 65.2 m -57.9 -29.75 65.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.591 0.234 . . . . 0.0 110.756 -178.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 95.84 -4.72 66.03 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 14.0 p -133.65 163.09 30.21 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 2.0 t -110.49 123.98 66.86 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 CA-C-O 121.151 0.5 . . . . 0.0 110.192 179.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -93.87 178.92 5.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.298 -0.864 . . . . 0.0 109.949 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -59.93 -49.52 77.36 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.749 -178.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -66.98 -40.31 87.39 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.952 0.406 . . . . 0.0 110.914 179.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -63.77 -39.55 94.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.28 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -61.48 -42.3 98.58 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 179.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 13.1 mt -58.15 -44.23 87.78 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.057 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 59.3 t -63.92 -43.97 97.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 C-N-CA 120.729 -0.389 . . . . 0.0 111.207 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 14.6 tmm? -65.11 -37.7 88.31 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.042 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 81' ' ' MET . . . . . 0.472 ' SD ' ' O ' ' C' ' 81' ' ' MET . 0.0 OUTLIER -60.47 -49.15 78.72 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.605 -178.928 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 60.5 t -65.19 -41.55 91.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.969 0.414 . . . . 0.0 110.38 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -59.92 -42.58 94.21 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.556 -179.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 84' ' ' CYS . . . . . 0.442 ' O ' ' O ' ' C' ' 87' ' ' ASP . 50.5 t -61.28 -43.44 98.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.88 0.371 . . . . 0.0 110.219 179.22 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 21.8 mmm -57.83 -43.02 85.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.818 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 29.6 mmtm -63.6 -39.92 95.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.771 0.319 . . . . 0.0 110.746 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 87' ' ' ASP . . . . . 0.442 ' O ' ' O ' ' C' ' 84' ' ' CYS . 0.9 OUTLIER -148.46 145.68 28.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.479 179.602 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -104.78 71.8 0.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.189 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 24.1 p . . . . . 0 C--N 1.323 -0.577 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.433 179.945 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' I' I ' 144' ' ' ARG . . . . . . . . . . . . . 54.3 ttt85 . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' I' I ' 145' ' ' ARG . . . . . . . . . . . . . 31.2 mmm-85 -90.88 -1.05 57.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.81 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 146' ' ' VAL . . . . . . . . . . . . . 14.9 m -115.87 135.83 54.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.134 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 147' ' ' ARG . . . . . . . . . . . . . 85.2 mtt-85 -138.83 146.91 41.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.022 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 148' ' ' ILE . . . . . 0.574 ' O ' ' O ' ' I' ' 149' ' ' SER . 86.0 mt -79.96 -63.38 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.473 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 149' ' ' SER . . . . . 0.574 ' O ' ' O ' ' I' ' 148' ' ' ILE . 9.5 t 44.81 168.66 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.782 -0.645 . . . . 0.0 112.052 179.396 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 150' ' ' ALA . . . . . . . . . . . . . . . -70.87 -42.0 70.62 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.377 179.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 151' ' ' ASP . . . . . 0.44 ' OD1' ' N ' ' I' ' 151' ' ' ASP . 16.4 p-10 -67.07 -49.93 63.46 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.122 -0.49 . . . . 0.0 112.092 -179.208 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . -62.62 -39.82 95.03 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.093 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 18.2 tpt -59.24 -47.33 85.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.457 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 154' ' ' MET . . . . . . . . . . . . . 22.5 mmt -63.5 -41.33 98.54 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.771 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -63.55 -42.9 98.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.592 -179.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . -62.93 -40.59 98.08 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.721 179.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 157' ' ' LEU . . . . . . . . . . . . . 3.6 mt -60.98 -55.98 26.52 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.01 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 158' ' ' LEU . . . . . . . . . . . . . 96.3 mt -70.2 -39.26 75.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.688 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 159' ' ' GLY . . . . . . . . . . . . . . . 78.82 -173.52 55.31 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 160' ' ' ALA . . . . . . . . . . . . . . . 47.53 -127.3 1.73 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.816 0.341 . . . . 0.0 110.56 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 161' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -131.09 150.12 52.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.549 179.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 162' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -135.9 143.2 44.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.91 179.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 163' ' ' LYS . . . . . . . . . . . . . 16.1 pttt -94.86 88.59 5.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.815 -179.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 164' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -149.86 110.08 4.17 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.966 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 165' ' ' SER . . . . . 0.41 ' O ' ' O ' ' I' ' 166' ' ' LEU . 67.8 m -90.94 1.68 56.84 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.608 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 166' ' ' LEU . . . . . 0.41 ' O ' ' O ' ' I' ' 165' ' ' SER . 8.6 mp 59.59 126.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.434 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 167' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -77.97 136.92 38.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.048 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 168' ' ' LEU . . . . . . . . . . . . . 71.7 mt 41.38 73.77 0.12 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.966 179.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 169' ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 -60.51 -40.42 91.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.932 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 170' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.823 179.654 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 66.8 mtt . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 53.16 37.61 25.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.459 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -63.04 -39.34 94.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.508 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 97.1 mt -60.15 -46.46 94.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.707 -179.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 5' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -65.49 -41.13 93.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.459 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 3.2 mmtm -62.58 -47.04 85.55 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 179.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.07 -40.37 97.48 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.233 179.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.21 -43.17 99.31 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.015 -0.674 . . . . 0.0 110.033 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 54.6 t -62.57 -47.42 93.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.093 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -64.82 -40.06 94.58 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.834 0.35 . . . . 0.0 110.543 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -62.94 -37.07 85.56 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.904 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 2.0 mp -59.09 134.19 56.76 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-O 120.968 0.413 . . . . 0.0 110.732 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 63.8 p -78.92 166.49 22.32 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.61 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -62.37 -34.69 77.19 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.194 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -66.09 -42.14 89.69 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.656 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 -64.86 -40.94 95.93 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.353 -0.539 . . . . 0.0 109.698 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 23.4 mmtp -62.42 -40.31 96.11 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.735 179.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 40.0 t-20 -63.24 -42.54 99.21 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 119.747 -0.781 . . . . 0.0 110.77 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 -63.35 -38.91 92.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.84 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . 0.6 ' CE2' ' SD ' ' C' ' 81' ' ' MET . 3.8 m-85 -60.67 -43.9 97.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.145 0.498 . . . . 0.0 110.578 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 16.7 mtpt -62.78 -38.76 91.89 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.283 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.89 -43.42 94.79 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.306 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.2 -42.34 99.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.941 0.401 . . . . 0.0 110.197 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -61.92 -44.31 97.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.464 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -59.93 -41.31 91.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.363 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 96.8 mt -70.88 -41.22 77.2 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.659 0 CA-C-O 121.183 0.516 . . . . 0.0 110.249 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -54.28 -37.41 64.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.185 -179.357 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . 0.401 ' C ' ' H ' ' C' ' 30' ' ' GLY . 26.7 m -79.85 17.17 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.094 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 3.3 pp -55.38 -9.03 0.4 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.39 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 30' ' ' GLY . . . . . 0.401 ' H ' ' C ' ' C' ' 28' ' ' VAL . . . -130.98 16.57 5.26 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -130.33 116.91 18.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.908 0.385 . . . . 0.0 111.532 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 32' ' ' GLU . . . . . 0.442 ' OE1' ' N ' ' C' ' 32' ' ' GLU . 18.4 pm0 -75.34 -25.1 57.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.399 179.344 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -87.8 -10.23 51.54 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.642 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.54 14.75 72.78 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 35' ' ' CYS . . . . . . . . . . . . . 81.6 m -105.94 142.61 35.35 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.525 0.202 . . . . 0.0 110.64 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . 0.439 ' O ' ' OG1' ' C' ' 71' ' ' THR . 31.9 mm -103.76 117.83 49.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 15.5 m -114.05 -166.13 1.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.542 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 74.8 p -63.36 -33.67 76.03 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.167 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt -61.79 -45.0 95.75 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.739 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 58.3 mp0 -69.31 -41.37 76.84 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.26 0.552 . . . . 0.0 110.672 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 20.6 mt -62.75 -30.83 71.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.823 178.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.41 -38.0 92.83 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -70.86 -41.98 70.69 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 121.315 0.579 . . . . 0.0 109.817 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 77.2 t -61.81 -43.63 97.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.3 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 21.7 mmt -61.2 -40.39 93.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.841 -179.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 29.1 mtp-105 -61.7 -39.04 90.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.446 179.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 96.7 mmm -61.82 -38.0 86.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.141 0.496 . . . . 0.0 109.926 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 96.6 mt -76.99 -2.55 34.42 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.024 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 82.6 19.1 64.56 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 111.314 -0.714 . . . . 0.0 111.314 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 29.1 mm100 -111.93 145.12 40.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.895 0.379 . . . . 0.0 110.408 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -132.05 73.1 78.54 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.443 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -76.67 -168.07 0.53 Allowed 'Trans proline' 0 C--N 1.308 -1.591 0 C-N-CA 122.678 2.252 . . . . 0.0 111.356 179.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 3.0 p -123.45 157.07 62.97 Favored Pre-proline 0 CA--C 1.537 0.447 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.058 -179.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -51.24 -36.57 57.01 Favored 'Trans proline' 0 N--CA 1.499 1.845 0 C-N-CA 121.906 1.737 . . . . 0.0 112.372 179.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.15 -53.37 59.06 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 112.902 0.705 . . . . 0.0 112.902 -178.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -71.41 -30.71 66.41 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.024 -0.67 . . . . 0.0 110.058 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 82.9 mt -64.27 -39.64 94.35 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.091 178.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 24.2 tm0? -64.05 -42.26 97.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.524 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -63.19 -40.6 97.96 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.298 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 66.7 mmm -60.3 -43.58 96.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.307 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 97.0 mt -68.17 -40.53 82.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.566 179.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -57.72 -35.92 71.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.105 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -57.95 -42.17 84.4 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.733 -178.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 19.6 m -92.18 -27.24 4.76 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.534 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 65' ' ' ASP . . . . . 0.557 ' OD2' ' N ' ' C' ' 69' ' ' SER . 26.2 t0 -70.35 121.16 17.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.874 0.369 . . . . 0.0 110.839 -178.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -81.6 -41.77 21.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.088 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 67' ' ' ASP . . . . . 0.472 ' OD1' ' OD1' ' C' ' 65' ' ' ASP . 37.1 p-10 -93.04 3.25 56.06 Favored 'General case' 0 CA--C 1.52 -0.174 0 C-N-CA 120.471 -0.492 . . . . 0.0 111.807 -179.636 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 66.84 26.6 73.13 Favored Glycine 0 CA--C 1.52 0.378 0 N-CA-C 110.119 -1.192 . . . . 0.0 110.119 179.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 69' ' ' SER . . . . . 0.557 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 94.3 p -55.7 -23.36 28.3 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.464 -178.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 70' ' ' GLY . . . . . 0.403 ' N ' ' OD2' ' C' ' 65' ' ' ASP . . . 85.97 1.49 86.79 Favored Glycine 0 CA--C 1.518 0.281 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.278 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 71' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' C' ' 36' ' ' ILE . 0.2 OUTLIER -146.57 163.93 34.22 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.131 0.491 . . . . 0.0 110.787 179.529 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 31.1 t -99.24 128.68 50.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.863 -179.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -94.22 175.53 6.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.419 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -58.01 -48.14 80.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.999 0.428 . . . . 0.0 110.732 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -62.31 -44.12 97.25 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.102 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -62.78 -39.16 93.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.724 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -58.06 -49.12 78.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.607 179.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 10.3 mt -61.47 -45.15 95.45 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.251 -0.579 . . . . 0.0 111.178 179.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 73.9 t -68.72 -41.06 82.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -179.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 15.2 tmm? -63.78 -42.38 97.78 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.19 0.519 . . . . 0.0 109.944 -179.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 81' ' ' MET . . . . . 0.6 ' SD ' ' CE2' ' C' ' 20' ' ' PHE . 44.0 ttm -67.41 -43.89 80.15 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.205 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 60.0 t -63.54 -43.04 98.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.057 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 40.3 ttt180 -60.39 -46.29 90.5 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 120.912 0.387 . . . . 0.0 110.249 -179.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 84' ' ' CYS . . . . . 0.453 ' O ' ' OD1' ' C' ' 87' ' ' ASP . 89.7 m -66.98 -38.27 85.74 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.875 179.231 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 16.3 ttt -58.79 -40.5 84.2 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 -178.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -91.84 -7.7 48.63 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.426 179.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 87' ' ' ASP . . . . . 0.453 ' OD1' ' O ' ' C' ' 84' ' ' CYS . 95.4 m-20 51.57 45.5 27.97 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.562 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 57.2 p-10 -111.54 71.22 0.74 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.388 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 51.3 p . . . . . 0 C--N 1.322 -0.596 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.398 179.776 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' I' I ' 144' ' ' ARG . . . . . . . . . . . . . 58.9 mtm180 . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' I' I ' 145' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -101.45 109.45 21.27 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.473 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 146' ' ' VAL . . . . . . . . . . . . . 15.0 p -66.93 -33.33 62.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.456 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 147' ' ' ARG . . . . . . . . . . . . . 27.9 ttp180 63.71 50.36 2.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.437 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 148' ' ' ILE . . . . . . . . . . . . . 18.4 tt -59.74 142.94 14.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.198 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 149' ' ' SER . . . . . 0.467 ' OG ' ' OD1' ' I' ' 151' ' ' ASP . 19.3 t -66.63 135.01 53.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.951 0.405 . . . . 0.0 110.315 -179.389 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 150' ' ' ALA . . . . . . . . . . . . . . . -61.44 -39.94 92.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.419 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 151' ' ' ASP . . . . . 0.579 ' OD1' ' N ' ' I' ' 152' ' ' ALA . 53.0 p-10 -64.27 -38.45 91.09 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.664 -0.415 . . . . 0.0 110.984 -179.494 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 152' ' ' ALA . . . . . 0.579 ' N ' ' OD1' ' I' ' 151' ' ' ASP . . . -62.13 -41.55 98.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.751 0.31 . . . . 0.0 110.721 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 27.4 ttt -61.78 -46.54 89.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.708 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 154' ' ' MET . . . . . . . . . . . . . 20.8 mmt -64.14 -40.13 95.51 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.813 0.34 . . . . 0.0 110.892 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 155' ' ' GLN . . . . . 0.448 ' O ' ' O ' ' I' ' 159' ' ' GLY . 13.5 tm0? -60.81 -45.84 92.84 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.965 179.378 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . -61.87 -40.52 95.67 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.823 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 157' ' ' LEU . . . . . . . . . . . . . 5.2 mp -61.59 -39.85 92.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.222 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 158' ' ' LEU . . . . . . . . . . . . . 20.7 mt -103.4 57.88 0.75 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.553 -179.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 159' ' ' GLY . . . . . 0.448 ' O ' ' O ' ' I' ' 155' ' ' GLN . . . 55.12 -130.79 47.8 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 179.295 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 160' ' ' ALA . . . . . 0.407 ' HA ' HE21 ' I' ' 155' ' ' GLN . . . -124.83 -11.81 7.14 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.869 0.366 . . . . 0.0 110.452 179.566 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 161' ' ' ARG . . . . . . . . . . . . . 91.4 mtm180 -72.0 143.44 49.18 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.684 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 162' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -153.46 25.71 0.52 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.57 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 163' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.95 -40.22 94.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.918 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 164' ' ' GLU . . . . . . . . . . . . . 21.1 tp10 -150.17 84.95 1.39 Allowed 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.758 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 165' ' ' SER . . . . . 0.547 ' O ' ' N ' ' I' ' 167' ' ' ASP . 90.2 p -154.2 154.48 33.57 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.782 179.361 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 166' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' I' ' 165' ' ' SER . 4.4 mt 33.96 -88.65 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.234 0 O-C-N 123.499 0.499 . . . . 0.0 111.139 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 167' ' ' ASP . . . . . 0.547 ' N ' ' O ' ' I' ' 165' ' ' SER . 59.1 t0 55.6 47.22 21.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.897 179.563 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 168' ' ' LEU . . . . . . . . . . . . . 6.3 tp -94.33 74.12 3.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.276 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 169' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -108.0 -18.74 13.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.549 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 170' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.485 -179.976 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 17.5 mmt . . . . . 0 N--CA 1.489 1.475 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 2' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' C' ' 2' ' ' ASP . 17.5 p-10 -63.1 -22.7 67.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.461 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -62.24 -39.26 92.23 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.65 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 91.4 mt -60.41 -44.87 97.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.823 -179.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 5' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -64.82 -42.53 94.89 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.138 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 22.8 mtpp -63.32 -43.05 98.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.625 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.23 -39.05 93.17 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.949 179.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.29 -41.97 99.02 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.236 -0.586 . . . . 0.0 110.473 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 67.9 t -62.61 -47.99 90.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.865 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -68.54 -36.62 79.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.759 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -63.19 -38.23 90.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.581 -179.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 16.4 mt -55.98 147.39 19.87 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 71.7 p -73.72 165.29 25.37 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.582 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 56.8 mp0 -62.94 -38.31 90.53 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.206 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -64.61 -41.32 96.28 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.589 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -62.72 -43.64 98.27 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.095 0.474 . . . . 0.0 110.347 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -66.82 -37.61 84.84 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.425 178.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -60.32 -44.29 95.59 Favored 'General case' 0 N--CA 1.442 -0.853 0 C-N-CA 119.957 -0.697 . . . . 0.0 110.748 -179.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -63.43 -38.93 93.03 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.688 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -61.77 -43.39 98.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.285 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -62.78 -39.27 93.68 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.419 179.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.26 -43.78 95.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.492 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.58 -41.36 98.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.974 0.416 . . . . 0.0 109.997 179.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 24' ' ' PHE . . . . . 0.561 ' CD2' ' CE1' ' C' ' 74' ' ' PHE . 74.7 t80 -61.73 -44.53 96.74 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.397 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -59.81 -40.85 89.78 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.557 -179.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 96.7 mt -71.04 -40.92 76.43 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 CA-C-O 120.988 0.423 . . . . 0.0 110.689 179.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 27' ' ' PHE . . . . . 0.407 ' C ' ' H ' ' C' ' 29' ' ' LEU . 0.9 OUTLIER -55.62 -38.5 69.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 35.9 m -80.82 23.58 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.952 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 29' ' ' LEU . . . . . 0.407 ' H ' ' C ' ' C' ' 27' ' ' PHE . 1.7 pp -45.03 -39.72 5.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.009 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . -113.86 29.09 8.0 Favored Glycine 0 CA--C 1.531 1.04 0 C-N-CA 121.393 -0.432 . . . . 0.0 112.104 -179.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -130.83 95.86 3.94 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 117.229 0.515 . . . . 0.0 110.395 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -72.99 -14.5 61.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.058 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -73.23 -18.42 61.24 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.654 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.98 14.63 71.88 Favored Glycine 0 CA--C 1.523 0.589 0 C-N-CA 120.473 -0.87 . . . . 0.0 110.961 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 35' ' ' CYS . . . . . . . . . . . . . 21.5 p -128.47 168.32 15.81 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.755 0.312 . . . . 0.0 110.285 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 6.2 mm -119.84 132.24 70.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 121.325 0.583 . . . . 0.0 111.032 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 37' ' ' SER . . . . . 0.504 ' HG ' ' H ' ' C' ' 38' ' ' THR . 5.5 t -133.08 -165.28 1.59 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.347 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 38' ' ' THR . . . . . 0.504 ' H ' ' HG ' ' C' ' 37' ' ' SER . 73.2 p -64.07 -33.44 75.76 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 -179.401 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -61.53 -52.32 64.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.947 0.403 . . . . 0.0 110.813 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -63.59 -38.87 92.78 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.151 -0.62 . . . . 0.0 110.386 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.59 -39.52 93.99 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.509 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.58 -40.39 98.66 Favored Glycine 0 CA--C 1.525 0.683 0 C-N-CA 120.612 -0.804 . . . . 0.0 111.205 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -64.33 -40.49 95.99 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.272 0.558 . . . . 0.0 110.442 -179.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 77.0 t -67.23 -40.39 84.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.691 179.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 18.3 mtt -58.33 -31.14 67.28 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.856 -178.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -58.27 -37.69 75.48 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.102 -0.639 . . . . 0.0 109.657 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 28.0 ttt -67.14 -32.49 73.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.723 178.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 90.7 mt -80.74 -10.95 59.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.715 -179.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.64 30.31 40.35 Favored Glycine 0 CA--C 1.526 0.736 0 C-N-CA 120.768 -0.73 . . . . 0.0 111.444 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 76.2 mm-40 -124.63 143.87 50.48 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.93 0.395 . . . . 0.0 110.764 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -146.9 71.7 12.37 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.734 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -76.88 -167.94 0.52 Allowed 'Trans proline' 0 C--N 1.307 -1.619 0 C-N-CA 122.955 2.437 . . . . 0.0 112.002 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 1.2 p -94.9 155.74 38.82 Favored Pre-proline 0 C--N 1.323 -0.575 0 C-N-CA 120.349 -0.541 . . . . 0.0 111.443 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -55.13 -33.64 84.71 Favored 'Trans proline' 0 N--CA 1.498 1.778 0 C-N-CA 121.886 1.724 . . . . 0.0 112.399 179.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -63.12 -39.8 95.75 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 121.147 0.498 . . . . 0.0 110.514 -178.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -66.72 -41.23 88.27 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.156 -0.929 . . . . 0.0 109.65 -179.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 84.1 mt -64.02 -40.22 95.84 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.953 -1.022 . . . . 0.0 110.7 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -65.82 -42.5 90.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.037 -179.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -65.47 -38.93 91.24 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.023 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 4.9 mmm -58.17 -46.66 85.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.471 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.77 -39.21 84.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.552 179.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -59.3 -38.07 79.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.218 -179.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -60.09 -43.75 95.29 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.824 -0.35 . . . . 0.0 111.203 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 10.0 p -87.07 -30.82 5.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.035 0.445 . . . . 0.0 111.054 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 65' ' ' ASP . . . . . 0.475 ' OD2' ' N ' ' C' ' 69' ' ' SER . 64.4 t0 -83.35 109.41 17.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.831 -179.194 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -66.71 -41.25 88.27 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.067 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 67' ' ' ASP . . . . . 0.436 ' OD1' ' OD1' ' C' ' 65' ' ' ASP . 1.8 p30 -76.02 -13.5 60.23 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 120.665 -0.414 . . . . 0.0 111.158 -179.34 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 66.0 21.73 69.94 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 110.636 -0.986 . . . . 0.0 110.636 178.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 69' ' ' SER . . . . . 0.475 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 88.5 p -60.05 -20.74 59.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.767 0.318 . . . . 0.0 110.571 -179.204 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.31 3.18 90.19 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 179.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 82.3 p -128.12 157.15 41.55 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 47.6 t -116.43 126.03 73.71 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -100.85 -174.34 2.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.197 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 74' ' ' PHE . . . . . 0.561 ' CE1' ' CD2' ' C' ' 24' ' ' PHE . 23.3 m-85 -60.03 -46.84 88.19 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.233 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -63.58 -43.77 96.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.069 0.461 . . . . 0.0 110.588 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -66.97 -39.03 87.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.826 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -58.31 -49.12 78.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.727 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 6.5 mp -64.49 -41.04 96.7 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.33 -0.548 . . . . 0.0 110.553 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 75.2 t -65.38 -38.74 83.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.24 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 12.7 tmm? -62.32 -41.67 98.74 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.192 0.52 . . . . 0.0 110.013 -179.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 81' ' ' MET . . . . . 0.5 ' O ' ' SG ' ' C' ' 84' ' ' CYS . 1.5 tmt? -63.45 -48.09 79.17 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.561 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 75.1 t -68.1 -41.46 84.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.74 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 76.5 ttt-85 -59.31 -44.58 92.53 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.965 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 84' ' ' CYS . . . . . 0.558 ' SG ' ' N ' ' C' ' 85' ' ' MET . 9.6 p -65.19 -39.62 93.12 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.105 -179.604 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 85' ' ' MET . . . . . 0.558 ' N ' ' SG ' ' C' ' 84' ' ' CYS . 16.3 tpt -67.88 -42.1 81.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.781 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -62.56 -42.08 99.31 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 120.942 0.401 . . . . 0.0 110.532 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 87' ' ' ASP . . . . . 0.418 ' CG ' ' H ' ' C' ' 88' ' ' ASP . 12.6 t70 64.05 -172.43 0.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.392 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 88' ' ' ASP . . . . . 0.418 ' H ' ' CG ' ' C' ' 87' ' ' ASP . 64.9 m-20 -119.9 72.87 0.94 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.376 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 2.6 p . . . . . 0 C--N 1.324 -0.535 0 CA-C-O 118.104 -0.951 . . . . 0.0 110.757 179.804 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' I' I ' 144' ' ' ARG . . . . . . . . . . . . . 36.2 ptt-85 . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' I' I ' 145' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.73 -39.04 92.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.423 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 146' ' ' VAL . . . . . . . . . . . . . 11.9 t 44.71 73.53 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.3 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 147' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -133.14 151.23 51.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.412 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 148' ' ' ILE . . . . . . . . . . . . . 20.0 tt -138.9 130.58 36.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.43 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 149' ' ' SER . . . . . . . . . . . . . 66.8 m -78.19 142.29 38.06 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.575 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 150' ' ' ALA . . . . . 0.501 ' O ' ' SD ' ' I' ' 154' ' ' MET . . . -61.15 -29.37 69.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.591 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' I' I ' 151' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -59.57 -38.35 80.93 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.456 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . -60.89 -40.79 94.39 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.496 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 59.6 mtt -62.09 -44.15 97.3 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.913 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 154' ' ' MET . . . . . 0.575 ' SD ' ' N ' ' I' ' 154' ' ' MET . 0.0 OUTLIER -64.47 -42.97 95.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.854 0.359 . . . . 0.0 110.777 179.668 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -66.75 -40.99 88.5 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.446 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . -63.04 -39.83 95.9 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.736 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 157' ' ' LEU . . . . . . . . . . . . . 5.7 mt -61.95 113.51 2.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.339 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 158' ' ' LEU . . . . . . . . . . . . . 88.1 mt 39.38 -107.41 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.507 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 159' ' ' GLY . . . . . . . . . . . . . . . -146.53 32.24 1.49 Allowed Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.819 -0.912 . . . . 0.0 110.819 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 160' ' ' ALA . . . . . . . . . . . . . . . -60.36 141.26 56.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.793 0.33 . . . . 0.0 110.383 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 161' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -130.23 135.26 47.94 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.356 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' I' I ' 162' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -110.98 126.45 54.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.453 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 163' ' ' LYS . . . . . . . . . . . . . 37.6 pttt -60.09 -25.54 65.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.716 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 164' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -57.66 116.32 3.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.442 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 165' ' ' SER . . . . . 0.55 ' C ' ' H ' ' I' ' 167' ' ' ASP . 33.8 p -105.62 55.47 0.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.498 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' I' I ' 166' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.62 -6.63 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.8 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' I' I ' 167' ' ' ASP . . . . . 0.55 ' H ' ' C ' ' I' ' 165' ' ' SER . 98.9 m-20 -60.42 -38.33 83.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' I' I ' 168' ' ' LEU . . . . . . . . . . . . . 22.8 mt -103.18 111.6 24.06 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.293 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 169' ' ' ARG . . . . . . . . . . . . . 83.2 mtt85 39.68 -109.81 0.09 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.447 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 170' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 117.906 -1.045 . . . . 0.0 110.413 179.81 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 5.2 ptp . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -99.05 8.68 44.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.854 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -60.43 -40.05 89.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.059 -179.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 46.1 mm -64.43 -44.81 97.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.391 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 5' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -66.13 -38.66 88.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.317 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 36.4 mtpt -56.81 -49.16 76.2 Favored 'General case' 0 CA--C 1.513 -0.447 0 C-N-CA 120.434 -0.506 . . . . 0.0 109.689 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.7 -40.78 98.21 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.374 179.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.55 -44.09 95.17 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 119.788 -0.765 . . . . 0.0 110.12 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 65.5 t -67.81 -47.0 81.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.14 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 72.6 tt0 -61.6 -33.1 73.32 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.32 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 43.2 tp60 -60.48 -35.92 77.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.084 -179.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . 0.568 ' C ' ' HZ2' ' C' ' 17' ' ' LYS . 5.7 mp -50.24 170.69 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.439 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 59.0 p -99.05 163.53 12.54 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.222 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.54 -39.02 92.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.727 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -67.24 -45.02 77.99 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.634 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -61.52 -42.04 98.21 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 17' ' ' LYS . . . . . 0.568 ' HZ2' ' C ' ' C' ' 12' ' ' LEU . 17.6 mtmm -64.75 -37.64 88.28 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.058 178.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -60.79 -43.51 98.02 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 119.623 -0.831 . . . . 0.0 110.688 -178.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -65.43 -38.67 90.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.138 0.494 . . . . 0.0 110.73 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -62.87 -41.34 99.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.551 -179.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 5.4 tttp -62.22 -39.98 94.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.112 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.86 -41.24 95.5 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.548 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.01 -39.29 91.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.267 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 24' ' ' PHE . . . . . 0.621 ' CD2' ' CE1' ' C' ' 74' ' ' PHE . 82.2 t80 -58.74 -46.22 87.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.091 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -58.42 -45.17 88.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.403 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.59 -41.9 91.73 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 CA-C-O 121.078 0.466 . . . . 0.0 110.471 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -53.0 -39.43 63.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.829 -179.569 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 27.3 m -84.3 25.25 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.08 -179.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 1.7 pp -42.44 -42.19 3.17 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.509 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . -105.47 15.84 45.51 Favored Glycine 0 CA--C 1.53 1.017 0 C-N-CA 121.25 -0.5 . . . . 0.0 112.421 -179.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -117.46 102.68 9.41 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 117.307 0.553 . . . . 0.0 111.305 -179.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -71.39 -20.34 62.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.463 179.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -70.46 -19.25 62.98 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.491 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.77 11.15 82.11 Favored Glycine 0 CA--C 1.521 0.429 0 N-CA-C 110.601 -0.999 . . . . 0.0 110.601 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 35' ' ' CYS . . . . . . . . . . . . . 79.3 m -119.54 147.05 44.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.946 0.403 . . . . 0.0 110.649 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 96.7 mt -94.22 127.05 46.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.066 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 22.2 t -136.43 -164.87 1.63 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.153 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 73.2 p -63.64 -29.74 70.94 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.496 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 64.8 mmtt -62.22 -47.24 85.3 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.007 0.432 . . . . 0.0 110.763 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -68.49 -40.38 80.92 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 121.24 0.543 . . . . 0.0 110.306 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 1.6 mp -67.7 -34.91 77.81 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.025 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.44 -41.28 99.5 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -66.33 -40.96 90.22 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-O 121.265 0.555 . . . . 0.0 110.346 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 54.6 t -62.12 -45.34 98.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.743 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 19.8 mmt -61.57 -40.54 95.11 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.748 -179.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -62.99 -41.03 99.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.523 -179.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 61.0 ttp -62.23 -38.14 88.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.156 0.503 . . . . 0.0 110.238 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 89.6 mt -64.56 -17.69 64.17 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.514 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 93.47 14.76 52.77 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 26.4 mm100 -105.32 145.91 30.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.763 0.316 . . . . 0.0 110.158 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -134.89 66.64 68.98 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.542 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_endo -77.36 -171.56 1.2 Allowed 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 123.198 2.599 . . . . 0.0 111.934 179.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.02 153.66 41.8 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.059 -179.504 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -60.24 -28.99 88.01 Favored 'Trans proline' 0 N--CA 1.5 1.898 0 C-N-CA 122.762 2.308 . . . . 0.0 112.844 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -61.81 -37.24 83.69 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.374 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -66.28 -40.16 89.87 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.183 -179.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 11.0 mp -60.72 -41.85 96.12 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.157 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -67.29 -41.05 86.08 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.059 -0.656 . . . . 0.0 110.176 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -61.9 -39.98 93.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.04 -179.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 17.0 tpt -61.02 -46.21 91.68 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 96.4 mt -68.43 -39.67 81.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.681 179.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 62' ' ' ASP . . . . . 0.415 ' OD1' ' O ' ' C' ' 62' ' ' ASP . 65.2 t0 -55.71 -35.97 66.69 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.078 -179.141 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -57.11 -29.82 63.86 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.133 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 15.5 t -106.66 -30.97 2.56 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 65' ' ' ASP . . . . . 0.541 ' OD2' ' N ' ' C' ' 71' ' ' THR . 9.1 m-20 -81.44 91.58 6.33 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 121.093 0.473 . . . . 0.0 111.081 -179.511 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -63.95 -37.42 87.36 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.421 179.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 57.7 p30 -74.67 -11.41 60.17 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.005 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 69.57 14.96 70.3 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 110.756 -0.937 . . . . 0.0 110.756 179.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 96.9 p -61.82 -21.67 64.83 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 121.0 -0.28 . . . . 0.0 110.826 -179.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 79.97 12.34 83.5 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 71' ' ' THR . . . . . 0.541 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 60.4 p -128.4 154.05 46.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.887 0.375 . . . . 0.0 110.736 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 71.3 t -120.82 124.64 72.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.592 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -102.21 -172.05 2.07 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.354 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 74' ' ' PHE . . . . . 0.621 ' CE1' ' CD2' ' C' ' 24' ' ' PHE . 49.5 m-85 -60.17 -43.32 95.91 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.666 -0.414 . . . . 0.0 111.053 -179.701 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -64.35 -50.98 65.61 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.941 0.401 . . . . 0.0 110.809 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.87 -37.98 87.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.354 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -57.07 -48.36 78.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.935 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 90.1 mt -62.74 -40.75 98.19 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.251 -0.58 . . . . 0.0 110.302 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 67.2 t -65.55 -40.1 87.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.429 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 15.6 tmm? -62.57 -40.59 97.34 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-O 121.343 0.592 . . . . 0.0 110.049 -179.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 8.4 tpt -65.75 -45.01 84.21 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.451 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 63.9 t -64.8 -42.83 95.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.734 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 58.7 ttt85 -60.51 -43.65 96.84 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 121.018 0.437 . . . . 0.0 110.206 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 84' ' ' CYS . . . . . . . . . . . . . 89.3 m -62.78 -39.9 95.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.666 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 13.3 tpt -60.5 -42.61 96.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.647 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -88.72 -4.77 58.45 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.572 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 87' ' ' ASP . . . . . 0.477 ' O ' ' N ' ' C' ' 89' ' ' SER . 66.0 m-20 47.96 -102.5 0.09 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.834 179.48 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -64.93 71.41 0.03 OUTLIER 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 121.329 0.585 . . . . 0.0 110.326 -179.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 89' ' ' SER . . . . . 0.477 ' N ' ' O ' ' C' ' 87' ' ' ASP . 2.7 m . . . . . 0 C--N 1.318 -0.769 0 CA-C-N 114.866 -1.061 . . . . 0.0 110.726 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 144' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' I' ' 146' ' ' VAL . 21.8 mtm-85 . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 145' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 62.95 -67.32 0.09 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.644 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' I' I ' 146' ' ' VAL . . . . . 0.493 ' N ' ' O ' ' I' ' 144' ' ' ARG . 1.9 t 70.47 11.2 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.504 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' I' I ' 147' ' ' ARG . . . . . . . . . . . . . 47.2 mmm-85 -75.56 -99.39 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.119 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 148' ' ' ILE . . . . . . . . . . . . . 96.1 mt -106.24 113.43 42.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 121.042 0.449 . . . . 0.0 110.538 179.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 149' ' ' SER . . . . . . . . . . . . . 40.4 t -72.95 147.74 44.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.601 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 150' ' ' ALA . . . . . . . . . . . . . . . -59.78 -39.66 85.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.493 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 151' ' ' ASP . . . . . 0.42 ' OD1' ' CE1' ' I' ' 162' ' ' HIS . 63.8 t0 -60.24 -47.65 85.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.726 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . -63.24 -40.53 97.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.994 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 14.6 tpt -60.91 -46.67 89.75 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 121.216 0.532 . . . . 0.0 110.478 -179.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 154' ' ' MET . . . . . 0.487 ' O ' ' O ' ' I' ' 157' ' ' LEU . 21.6 mmt -63.57 -41.11 98.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.234 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -65.18 -39.05 92.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.848 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . -60.28 -40.53 90.76 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.206 -179.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 157' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' I' ' 159' ' ' GLY . 0.7 OUTLIER -130.89 -150.1 0.42 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.287 -179.624 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' I' I ' 158' ' ' LEU . . . . . 0.409 ' HB3' ' H ' ' I' ' 159' ' ' GLY . 6.5 tp 50.68 -88.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.816 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' I' I ' 159' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' I' ' 157' ' ' LEU . . . -133.72 127.39 4.61 Favored Glycine 0 CA--C 1.521 0.454 0 N-CA-C 110.766 -0.933 . . . . 0.0 110.766 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' I' I ' 160' ' ' ALA . . . . . . . . . . . . . . . -62.18 -39.61 93.28 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.793 0.33 . . . . 0.0 110.499 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 161' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -101.94 123.2 45.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.392 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 162' ' ' HIS . . . . . 0.42 ' CE1' ' OD1' ' I' ' 151' ' ' ASP . 7.2 p80 -161.16 163.61 31.14 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 178.484 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' I' I ' 163' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -114.29 153.79 29.1 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 164' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -39.9 126.95 2.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.934 0.397 . . . . 0.0 110.906 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 165' ' ' SER . . . . . . . . . . . . . 11.9 t -101.61 -52.87 3.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.07 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 166' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.08 84.68 7.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.23 -179.428 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' I' I ' 167' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -86.09 -9.69 56.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.08 0.467 . . . . 0.0 110.302 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 168' ' ' LEU . . . . . . . . . . . . . 29.0 mt -77.7 157.86 29.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.78 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 169' ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -61.25 -38.31 86.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.118 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 170' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 118.024 -0.988 . . . . 0.0 111.076 179.663 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 12.0 ptm . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 53.5 p-10 -76.28 169.75 17.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.822 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 48.0 p30 -64.58 -14.28 57.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.332 -179.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.72 -39.61 86.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.054 0.454 . . . . 0.0 110.346 179.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 5' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -60.0 -44.22 94.69 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.981 -179.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt -61.62 -45.41 94.18 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.254 -0.578 . . . . 0.0 110.211 179.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.5 -39.01 91.37 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.6 178.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.76 -43.4 98.9 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.031 -0.668 . . . . 0.0 110.08 -179.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 56.0 t -61.52 -47.54 92.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.252 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -65.83 -33.73 76.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.234 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -61.35 -36.62 80.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.258 -179.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 93.5 mt -39.58 147.71 0.08 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.039 0.447 . . . . 0.0 110.898 179.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 13' ' ' THR . . . . . 0.45 ' OG1' ' OE1' ' C' ' 16' ' ' GLN . 70.3 p -76.11 168.83 19.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.907 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -61.63 -28.9 69.7 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.619 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -71.54 -48.17 50.33 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.912 179.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 16' ' ' GLN . . . . . 0.45 ' OE1' ' OG1' ' C' ' 13' ' ' THR . 7.0 mp0 -61.8 -33.52 74.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.14 179.411 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.1 -41.59 34.7 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.95 178.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -64.7 -41.42 96.03 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.058 -0.657 . . . . 0.0 111.288 -179.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . 0.43 ' CD ' ' N ' ' C' ' 20' ' ' PHE . 3.0 pp20? -70.21 -38.75 75.35 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.293 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . 0.481 ' CD1' ' C ' ' C' ' 20' ' ' PHE . 0.0 OUTLIER -54.23 -51.26 65.02 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.691 179.351 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 21' ' ' LYS . . . . . 0.401 ' N ' ' CG ' ' C' ' 20' ' ' PHE . 13.0 tttm -59.45 -48.01 83.3 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.565 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.26 -41.41 99.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.077 0.465 . . . . 0.0 110.402 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.62 -39.73 94.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.782 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 24' ' ' PHE . . . . . 0.619 ' CD2' ' CE1' ' C' ' 74' ' ' PHE . 50.5 t80 -60.82 -42.55 97.91 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.148 -179.3 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -59.95 -44.4 94.43 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.961 0.41 . . . . 0.0 110.416 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 97.3 mt -67.34 -41.55 86.52 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.635 0 CA-C-O 121.259 0.552 . . . . 0.0 110.265 178.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.51 -41.16 76.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.805 -179.649 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 26.4 m -89.46 28.61 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.046 -179.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 29' ' ' LEU . . . . . 0.415 ' HG ' ' H ' ' C' ' 30' ' ' GLY . 2.1 pp -43.06 -41.77 3.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.22 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 30' ' ' GLY . . . . . 0.415 ' H ' ' HG ' ' C' ' 29' ' ' LEU . . . -107.1 15.55 39.69 Favored Glycine 0 CA--C 1.525 0.676 0 C-N-CA 121.376 -0.44 . . . . 0.0 112.075 -178.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -125.01 86.08 2.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.32 0.581 . . . . 0.0 110.44 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -65.5 -22.91 66.78 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.305 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -69.96 -17.6 63.32 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.383 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 84.57 18.33 62.22 Favored Glycine 0 CA--C 1.52 0.347 0 N-CA-C 110.759 -0.936 . . . . 0.0 110.759 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 35' ' ' CYS . . . . . . . . . . . . . 74.6 m -118.61 143.34 46.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.674 0.273 . . . . 0.0 110.298 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 65.8 mt -114.72 123.86 70.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.847 -179.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 2.1 m -134.29 -167.82 2.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.829 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 67.6 p -64.76 -27.03 68.62 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.4 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 39' ' ' LYS . . . . . 0.435 ' CG ' ' N ' ' C' ' 40' ' ' GLU . 54.9 pttt -62.74 -40.75 98.21 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.846 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 40' ' ' GLU . . . . . 0.435 ' N ' ' CG ' ' C' ' 39' ' ' LYS . 0.7 OUTLIER -84.31 -38.19 20.72 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.017 0.436 . . . . 0.0 110.537 179.642 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.05 -24.23 62.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.194 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.14 -34.8 81.31 Favored Glycine 0 CA--C 1.529 0.915 0 N-CA-C 110.56 -1.016 . . . . 0.0 110.56 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -84.7 -35.85 22.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.011 0.434 . . . . 0.0 110.82 179.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 79.9 t -62.52 -45.23 99.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.723 -179.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 20.6 ptt? -64.87 -32.36 74.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.137 -179.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 9.5 tmm_? -61.01 -45.13 96.04 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.273 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 59.9 ttm -61.34 -40.91 96.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.107 0.479 . . . . 0.0 109.959 179.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 96.3 mt -68.86 -8.64 45.71 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.737 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.98 24.35 64.43 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 60.8 mm-40 -115.86 133.15 56.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.836 0.35 . . . . 0.0 110.566 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 33.2 m120 -130.23 68.21 80.84 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.107 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -73.78 -171.07 0.78 Allowed 'Trans proline' 0 C--N 1.307 -1.605 0 C-N-CA 122.803 2.335 . . . . 0.0 111.534 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 53' ' ' THR . . . . . 0.481 ' H ' ' HG1' ' C' ' 53' ' ' THR . 1.2 p -94.96 156.68 37.7 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.194 -179.584 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -52.92 -38.47 79.26 Favored 'Trans proline' 0 N--CA 1.503 2.056 0 C-N-CA 122.227 1.951 . . . . 0.0 113.131 179.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -62.52 -37.91 87.91 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-O 121.275 0.56 . . . . 0.0 111.101 -178.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -65.93 -41.88 90.81 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.87 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 96.1 mt -62.82 -40.44 97.38 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.085 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -64.93 -43.11 93.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.27 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -65.26 -37.93 88.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.012 179.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 67.5 mtp -59.62 -44.72 93.36 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.441 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 97.1 mt -70.83 -42.17 77.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.663 179.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -57.11 -37.04 71.39 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.216 -179.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -62.42 -41.74 98.92 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 33.3 m -97.29 -12.41 8.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 C-N-CA 120.547 -0.461 . . . . 0.0 111.382 -179.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 65' ' ' ASP . . . . . 0.529 ' OD2' ' N ' ' C' ' 69' ' ' SER . 66.4 t0 -75.52 127.06 32.26 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.892 0.377 . . . . 0.0 110.756 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -79.43 -27.6 41.7 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.022 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.19 -11.47 17.24 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.486 -179.554 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 68' ' ' GLY . . . . . 0.522 ' H ' ' CG ' ' C' ' 65' ' ' ASP . . . 69.09 15.09 69.25 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.616 -0.994 . . . . 0.0 110.616 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 69' ' ' SER . . . . . 0.529 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 90.3 p -62.36 -20.31 64.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.677 0.275 . . . . 0.0 110.663 -179.498 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 91.75 7.96 64.14 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 72.4 p -129.67 155.48 45.79 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.745 0.307 . . . . 0.0 110.524 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 72.8 t -122.17 123.26 68.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.563 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -106.83 -167.52 1.29 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.012 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 74' ' ' PHE . . . . . 0.619 ' CE1' ' CD2' ' C' ' 24' ' ' PHE . 38.1 m-85 -60.49 -47.75 84.79 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -179.354 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -64.37 -44.77 90.35 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.046 0.45 . . . . 0.0 111.064 -179.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -67.2 -39.62 86.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.297 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -59.92 -47.61 85.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.872 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 84.5 mt -62.21 -41.93 98.83 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.47 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 66.7 t -66.11 -40.43 87.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.357 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 14.7 tmm? -63.41 -39.68 95.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.226 0.536 . . . . 0.0 110.087 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -66.39 -48.0 71.51 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.259 -179.622 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 78.9 t -66.59 -40.7 86.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.035 179.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 50.3 ttt85 -59.65 -43.61 93.85 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 120.904 0.383 . . . . 0.0 110.275 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 84' ' ' CYS . . . . . . . . . . . . . 53.8 t -59.69 -48.86 80.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.525 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 27.0 ttt -63.68 -45.17 91.28 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.632 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 27.5 ttpp -63.79 -40.67 97.22 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.969 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 87' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -49.5 135.12 18.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.604 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 54.0 p-10 -119.74 72.0 0.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.377 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.959 -1.02 . . . . 0.0 110.417 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 144' ' ' ARG . . . . . . . . . . . . . 1.4 tpp180 . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' I' I ' 145' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -61.29 -20.25 62.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.643 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 146' ' ' VAL . . . . . . . . . . . . . 74.9 t -62.26 -43.37 97.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.873 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 147' ' ' ARG . . . . . . . . . . . . . 36.0 mtp85 -110.37 129.17 55.81 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.923 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 148' ' ' ILE . . . . . . . . . . . . . 15.8 tt -64.92 -32.6 58.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.436 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 149' ' ' SER . . . . . . . . . . . . . 79.2 p 39.44 -138.74 0.07 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.532 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 150' ' ' ALA . . . . . . . . . . . . . . . -125.47 -45.71 1.79 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.658 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 151' ' ' ASP . . . . . 0.489 ' OD1' ' N ' ' I' ' 151' ' ' ASP . 15.1 p-10 -60.89 -37.49 82.39 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.795 0.331 . . . . 0.0 110.764 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . -61.97 -42.32 99.0 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.214 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 2.9 ptt? -68.91 -34.66 75.76 Favored 'General case' 0 C--O 1.232 0.148 0 C-N-CA 120.33 -0.548 . . . . 0.0 109.956 -179.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 154' ' ' MET . . . . . . . . . . . . . 56.0 mtt -62.05 -41.62 98.33 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.441 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -63.64 -41.19 98.27 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.59 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . -61.65 -45.69 92.97 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.341 -0.544 . . . . 0.0 110.93 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 157' ' ' LEU . . . . . . . . . . . . . 96.9 mt -71.85 -39.98 69.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.021 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 158' ' ' LEU . . . . . . . . . . . . . 51.7 mt -114.04 -88.83 0.55 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.811 -179.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 159' ' ' GLY . . . . . . . . . . . . . . . 78.54 102.8 0.21 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.674 -0.97 . . . . 0.0 110.674 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 160' ' ' ALA . . . . . . . . . . . . . . . -160.72 -156.12 0.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.009 0.433 . . . . 0.0 110.565 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 161' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 -69.01 -6.19 26.4 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.319 179.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 162' ' ' HIS . . . . . 0.435 ' ND1' ' C ' ' I' ' 162' ' ' HIS . 0.7 OUTLIER -64.35 -15.11 59.77 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.583 -0.447 . . . . 0.0 109.993 -179.852 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' I' I ' 163' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.32 -13.01 0.76 Allowed 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.007 -179.197 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' I' I ' 164' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -59.77 -43.92 94.11 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.436 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 165' ' ' SER . . . . . . . . . . . . . 97.7 p -172.42 169.22 5.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.938 0.399 . . . . 0.0 111.133 179.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 166' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -177.6 -70.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.621 179.245 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' I' I ' 167' ' ' ASP . . . . . . . . . . . . . 57.7 p-10 -102.45 15.28 29.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.024 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 168' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.39 -46.37 76.86 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.81 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' I' I ' 169' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -123.47 111.06 15.87 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.026 0.441 . . . . 0.0 110.393 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 170' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.371 -179.969 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 25.8 tpp . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 54.0 p-10 -65.46 -13.96 59.92 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.627 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -61.04 -38.51 86.42 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.27 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.22 -40.59 88.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.291 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 5' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -58.47 -47.71 83.15 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.451 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -59.79 -46.06 90.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.134 0.492 . . . . 0.0 109.7 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.79 -35.15 78.95 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.753 179.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.43 -43.08 97.14 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.315 -0.554 . . . . 0.0 110.485 -178.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 54.5 t -64.74 -48.71 83.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.289 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.69 -32.4 73.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.423 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -60.39 -25.05 65.6 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.467 -179.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 90.3 mt -56.95 134.73 55.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.999 0.428 . . . . 0.0 110.494 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 66.2 p -78.83 167.46 21.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.407 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -61.12 -39.53 90.35 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.968 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 60.8 mp0 -66.03 -39.88 90.58 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.545 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 79.9 mm-40 -61.92 -42.03 98.63 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.3 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 43.1 mttp -66.74 -37.4 84.57 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.104 179.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -61.86 -41.0 97.29 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 119.846 -0.741 . . . . 0.0 110.535 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -63.76 -37.46 87.43 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.491 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -62.32 -41.7 98.76 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.097 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 21.1 ttmt -60.68 -41.61 95.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.699 178.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.62 -43.69 93.71 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.384 -0.526 . . . . 0.0 110.365 -179.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.37 -41.69 98.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.199 179.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -62.97 -42.12 99.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.609 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -59.77 -41.02 90.17 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.115 0.483 . . . . 0.0 110.218 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 96.4 mt -73.19 -39.69 56.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.13 0.49 . . . . 0.0 110.232 178.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 27' ' ' PHE . . . . . 0.423 ' C ' ' H ' ' C' ' 29' ' ' LEU . 0.5 OUTLIER -54.66 -37.55 65.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.94 -179.481 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 27.8 m -78.33 19.73 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.272 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 29' ' ' LEU . . . . . 0.423 ' H ' ' C ' ' C' ' 27' ' ' PHE . 2.4 pp -42.96 -39.82 2.74 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.101 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . -114.34 27.3 9.05 Favored Glycine 0 CA--C 1.527 0.82 0 C-N-CA 121.385 -0.436 . . . . 0.0 112.077 -179.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 31' ' ' ALA . . . . . 0.475 ' N ' ' OE1' ' C' ' 40' ' ' GLU . . . -133.79 97.56 3.94 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 117.061 0.431 . . . . 0.0 110.769 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -71.85 -17.05 62.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.504 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -75.02 -16.41 60.61 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.754 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.25 19.03 63.33 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 35' ' ' CYS . . . . . . . . . . . . . 30.7 p -138.52 157.83 45.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.927 0.394 . . . . 0.0 110.207 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . 0.402 ' CD1' ' N ' ' C' ' 36' ' ' ILE . 1.4 mm -99.79 129.92 49.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.987 0.422 . . . . 0.0 109.958 -179.304 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 39.2 t -138.39 178.95 6.76 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.734 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 68.4 p -58.28 -26.45 62.99 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.295 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 5.4 tmtp? -65.35 -57.1 9.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.501 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 40' ' ' GLU . . . . . 0.475 ' OE1' ' N ' ' C' ' 31' ' ' ALA . 34.2 tt0 -66.52 -39.73 88.8 Favored 'General case' 0 C--N 1.333 -0.123 0 C-N-CA 120.566 -0.454 . . . . 0.0 111.175 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 1.7 tp -57.26 -32.01 66.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.702 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.96 -39.96 97.75 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 -179.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp -71.61 -40.96 69.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.302 0.572 . . . . 0.0 110.542 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 74.9 t -64.57 -44.25 96.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.392 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 20.0 mmt -62.39 -39.39 93.04 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.794 -179.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 4.6 mtm180 -59.88 -41.06 90.75 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.524 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 16.1 tpt -62.72 -38.49 90.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.101 0.477 . . . . 0.0 110.24 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 96.4 mt -65.07 -23.14 67.08 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.506 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.92 20.62 10.41 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.286 -0.726 . . . . 0.0 111.286 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 28.6 mm100 -121.91 144.79 48.65 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.824 0.345 . . . . 0.0 110.443 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -130.21 70.29 82.18 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.478 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -75.48 -166.32 0.35 Allowed 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 122.927 2.418 . . . . 0.0 111.335 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 17.2 p -120.13 152.56 54.65 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.227 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -47.86 -39.73 31.88 Favored 'Trans proline' 0 N--CA 1.496 1.663 0 C-N-CA 122.036 1.824 . . . . 0.0 112.371 179.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -61.18 -42.91 99.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.968 0.413 . . . . 0.0 111.174 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -64.88 -41.36 95.7 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.429 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 89.7 mt -66.97 -38.92 86.96 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.207 -179.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.15 -40.86 97.07 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.403 -179.719 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.79 -43.97 97.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.922 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 60.6 mtt -62.89 -43.67 98.18 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.05 0.452 . . . . 0.0 110.466 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 92.2 mt -65.08 -39.06 84.36 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.735 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -58.46 -40.89 83.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.351 -179.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -64.43 -41.43 96.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.957 0.408 . . . . 0.0 110.58 178.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 96.7 t -76.73 -33.01 21.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.858 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 65' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -84.86 120.26 26.26 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.93 0.395 . . . . 0.0 111.015 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 25.9 pt-20 -78.14 -20.97 51.0 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.601 179.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 45.7 p30 -98.51 -8.89 25.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.274 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 67.29 20.74 71.62 Favored Glycine 0 CA--C 1.52 0.387 0 N-CA-C 110.527 -1.029 . . . . 0.0 110.527 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 92.2 p -59.09 -33.14 70.48 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.82 -179.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 95.87 -0.13 62.49 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 72.6 p -136.74 161.22 36.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.67 0.271 . . . . 0.0 110.632 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 95.5 t -111.41 119.43 59.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.363 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 56.4 p30 -98.22 -172.3 2.32 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.462 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.8 -51.47 68.83 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.683 -179.655 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -61.99 -45.51 93.32 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.233 -179.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -68.31 -31.28 70.59 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.521 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -65.46 -46.71 78.78 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.8 178.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.99 -49.26 78.36 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.605 -178.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 35.7 m -67.26 -30.11 48.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.1 -179.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 80' ' ' MET . . . . . 0.424 ' O ' ' SG ' ' C' ' 84' ' ' CYS . 65.4 ttp -63.55 -42.36 98.37 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 17.4 tpt -66.36 -46.29 77.24 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.773 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 75.9 t -64.57 -46.72 91.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.136 -179.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -63.39 -41.04 98.75 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.686 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 84' ' ' CYS . . . . . 0.424 ' SG ' ' O ' ' C' ' 80' ' ' MET . 96.1 m -65.19 -40.42 94.2 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.677 179.631 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 27.9 ttt -60.8 -48.62 80.96 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.851 -179.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 13.6 pttp -80.79 -23.0 39.58 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.954 0.407 . . . . 0.0 110.63 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 87' ' ' ASP . . . . . . . . . . . . . 9.4 t0 73.26 138.28 0.05 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.957 -179.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -89.36 72.04 8.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.085 0.469 . . . . 0.0 110.248 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 25.1 p . . . . . 0 C--N 1.32 -0.71 0 CA-C-O 117.934 -1.031 . . . . 0.0 110.348 179.805 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' I' I ' 144' ' ' ARG . . . . . . . . . . . . . 4.5 ttm-85 . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' I' I ' 145' ' ' ARG . . . . . . . . . . . . . 34.3 ptt-85 -140.29 143.33 35.82 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.54 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 146' ' ' VAL . . . . . . . . . . . . . 70.1 t -98.51 -50.68 10.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.601 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 147' ' ' ARG . . . . . . . . . . . . . 75.8 mtp180 -90.19 143.85 26.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.707 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 148' ' ' ILE . . . . . . . . . . . . . 88.1 mt -71.75 130.23 35.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.44 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 149' ' ' SER . . . . . . . . . . . . . 65.8 m -99.6 144.2 28.96 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.691 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 150' ' ' ALA . . . . . . . . . . . . . . . -61.24 -39.59 90.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.365 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 151' ' ' ASP . . . . . 0.543 ' OD1' ' N ' ' I' ' 152' ' ' ALA . 3.0 p30 -60.27 -43.37 96.25 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.6 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' I' I ' 152' ' ' ALA . . . . . 0.543 ' N ' ' OD1' ' I' ' 151' ' ' ASP . . . -62.86 -39.88 95.77 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.477 179.265 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 5.9 tpt -62.17 -44.54 96.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.306 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 154' ' ' MET . . . . . . . . . . . . . 32.4 mmt -64.23 -38.82 92.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.767 179.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -60.26 -43.16 96.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.243 -179.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . -62.72 -40.4 97.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.515 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 157' ' ' LEU . . . . . . . . . . . . . 6.4 mp -69.03 132.42 46.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.402 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 158' ' ' LEU . . . . . . . . . . . . . 1.5 mt 56.89 15.29 2.21 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.615 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 159' ' ' GLY . . . . . . . . . . . . . . . 65.64 -150.03 51.7 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.874 -0.891 . . . . 0.0 110.874 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 160' ' ' ALA . . . . . . . . . . . . . . . -106.99 123.08 47.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.818 0.342 . . . . 0.0 110.469 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 161' ' ' ARG . . . . . 0.415 ' C ' ' H ' ' I' ' 163' ' ' LYS . 28.4 ttp180 -163.77 -34.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.659 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' I' I ' 162' ' ' HIS . . . . . 0.414 ' O ' ' C ' ' I' ' 163' ' ' LYS . 2.6 p80 -69.78 2.52 3.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.433 -179.213 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' I' I ' 163' ' ' LYS . . . . . 0.415 ' H ' ' C ' ' I' ' 161' ' ' ARG . 20.2 pttm -36.88 116.4 0.44 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.604 -179.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' I' I ' 164' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -172.48 -55.5 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.49 -179.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 165' ' ' SER . . . . . . . . . . . . . 75.0 m -148.47 65.85 1.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.249 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 166' ' ' LEU . . . . . . . . . . . . . 38.2 tp -61.7 -41.46 97.62 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 -179.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 167' ' ' ASP . . . . . 0.428 ' OD1' ' O ' ' I' ' 167' ' ' ASP . 13.1 p30 -102.86 108.47 19.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.901 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' I' I ' 168' ' ' LEU . . . . . . . . . . . . . 59.9 tp -127.16 123.79 37.56 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.015 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 169' ' ' ARG . . . . . . . . . . . . . 11.3 tpp180 -103.84 110.64 22.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.807 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 170' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 118.057 -0.973 . . . . 0.0 110.441 179.981 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 55.81 22.96 5.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.596 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -66.9 -47.28 72.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 26.8 mm -71.48 -37.29 63.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.46 -179.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 5' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -59.14 -48.08 82.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.054 -179.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -61.92 -45.82 92.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.989 0.423 . . . . 0.0 110.028 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' C' ' 11' ' ' GLN . . . -61.88 -37.84 86.09 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.3 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.21 -40.53 90.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.053 0.454 . . . . 0.0 110.315 -179.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 54.6 t -61.42 -45.44 98.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.492 179.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -75.75 -31.89 59.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.678 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 11' ' ' GLN . . . . . 0.452 ' O ' ' C ' ' C' ' 12' ' ' LEU . 41.1 tp60 -63.15 -29.94 71.19 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.723 -178.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . 0.452 ' C ' ' O ' ' C' ' 11' ' ' GLN . 0.9 OUTLIER -31.84 133.77 0.09 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.966 0.413 . . . . 0.0 111.204 -179.275 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 71.6 p -77.93 165.51 24.01 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.621 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.61 -38.49 84.87 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.435 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -63.97 -44.03 93.97 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.787 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -63.29 -40.7 98.1 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.265 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 46.9 mttp -64.15 -39.4 93.93 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.408 179.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -62.6 -48.13 80.77 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 119.942 -0.703 . . . . 0.0 110.945 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.17 -38.63 91.76 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.632 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . 0.507 ' CD2' ' SD ' ' C' ' 81' ' ' MET . 3.7 m-30 -63.61 -43.04 98.06 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.995 -178.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 23.4 mtpp -64.15 -38.22 90.26 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.657 178.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.67 -44.59 93.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.902 0.382 . . . . 0.0 110.284 -179.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.6 -38.45 91.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.334 178.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 24' ' ' PHE . . . . . 0.488 ' CE2' ' CZ ' ' C' ' 74' ' ' PHE . 83.8 t80 -57.76 -46.19 84.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.062 -179.599 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -60.65 -39.9 90.01 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.971 0.415 . . . . 0.0 110.253 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 95.2 mt -68.51 -40.0 81.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.956 0.408 . . . . 0.0 110.864 179.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -58.14 -39.27 78.33 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.099 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . 0.474 ' C ' ' H ' ' C' ' 30' ' ' GLY . 28.9 m -79.89 19.38 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 120.912 -0.315 . . . . 0.0 111.09 -179.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 3.1 pp -55.51 -7.94 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.655 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 30' ' ' GLY . . . . . 0.474 ' H ' ' C ' ' C' ' 28' ' ' VAL . . . -119.78 6.52 12.37 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -179.545 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -130.71 126.96 37.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.886 0.374 . . . . 0.0 110.535 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 32' ' ' GLU . . . . . 0.4 ' OE1' ' N ' ' C' ' 32' ' ' GLU . 47.2 mp0 -85.32 -21.43 28.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.607 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -75.31 -18.67 59.98 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.502 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.16 6.0 63.44 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 35' ' ' CYS . . . . . . . . . . . . . 84.9 m -104.99 149.89 25.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.603 0.239 . . . . 0.0 110.491 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 67.7 mt -101.67 121.11 52.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 50.0 m -116.22 -167.24 1.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.152 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 40.3 p -62.08 -30.92 71.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.593 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -61.58 -47.7 84.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.014 0.435 . . . . 0.0 110.817 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 36.0 mp0 -64.01 -40.75 97.04 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.537 0.684 . . . . 0.0 110.296 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 41' ' ' LEU . . . . . 0.459 ' O ' ' SD ' ' C' ' 45' ' ' MET . 2.2 mm? -66.45 -33.41 75.63 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.983 179.296 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.73 -39.11 96.22 Favored Glycine 0 CA--C 1.52 0.374 0 N-CA-C 110.684 -0.966 . . . . 0.0 110.684 179.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -66.05 -40.25 90.79 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.192 0.52 . . . . 0.0 110.016 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 56.9 t -61.15 -44.75 98.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.374 179.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 45' ' ' MET . . . . . 0.607 ' N ' ' SD ' ' C' ' 45' ' ' MET . 0.0 OUTLIER -61.43 -39.94 92.65 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.734 -179.363 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 46.5 mtt-85 -60.5 -40.94 93.17 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.35 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 97.9 mtp -64.69 -37.0 86.11 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.58 179.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 96.0 mt -74.83 -5.77 45.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.457 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 82.94 20.51 61.01 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 -116.94 141.79 47.77 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.829 0.347 . . . . 0.0 110.357 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -133.69 74.54 70.04 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.374 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -78.3 -170.2 0.93 Allowed 'Trans proline' 0 C--N 1.306 -1.689 0 C-N-CA 122.966 2.444 . . . . 0.0 112.09 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -99.23 154.05 37.49 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.434 -179.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -64.07 -26.54 65.66 Favored 'Trans proline' 0 C--N 1.303 -1.846 0 C-N-CA 121.764 1.643 . . . . 0.0 112.609 179.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -64.35 -50.51 67.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.129 0.49 . . . . 0.0 111.173 -178.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.29 -32.09 71.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.089 -179.291 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 81.0 mt -64.03 -39.49 94.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.331 178.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -65.68 -40.22 92.12 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.218 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -61.82 -39.09 90.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.447 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 97.0 mtp -61.85 -41.45 97.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.43 179.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 88.5 mt -62.09 -43.05 97.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.092 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -61.35 -40.12 93.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.995 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.04 -45.58 92.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.864 -179.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 10.7 p -82.88 -30.53 8.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.789 0.328 . . . . 0.0 110.839 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 65' ' ' ASP . . . . . 0.501 ' OD2' ' N ' ' C' ' 69' ' ' SER . 64.3 t0 -80.93 109.22 15.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.069 0.462 . . . . 0.0 110.734 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -64.85 -40.42 95.12 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.556 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 67' ' ' ASP . . . . . 0.453 ' OD1' ' OD1' ' C' ' 65' ' ' ASP . 1.4 p30 -80.35 -14.39 58.39 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.984 -179.67 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 64.96 24.09 69.89 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 178.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 69' ' ' SER . . . . . 0.501 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 86.4 p -59.24 -20.39 53.73 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.732 -179.159 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 98.22 -6.59 61.69 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 66.2 p -136.17 161.92 34.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.629 0.252 . . . . 0.0 110.488 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 47.8 t -102.69 128.35 55.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -105.06 -169.85 1.67 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.13 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 74' ' ' PHE . . . . . 0.488 ' CZ ' ' CE2' ' C' ' 24' ' ' PHE . 47.2 m-85 -60.71 -45.75 93.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.43 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.69 -53.8 52.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.141 0.495 . . . . 0.0 111.341 -179.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . 0.451 ' OE2' ' OD1' ' C' ' 65' ' ' ASP . 94.2 mt-10 -64.83 -38.24 90.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.092 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -57.94 -46.37 85.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.803 179.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 76.5 mt -59.65 -41.84 91.45 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.331 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 66.1 t -66.23 -38.48 82.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.108 179.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 59.1 ttp -60.59 -41.66 95.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.107 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 81' ' ' MET . . . . . 0.507 ' SD ' ' CD2' ' C' ' 20' ' ' PHE . 1.0 OUTLIER -66.98 -47.45 71.52 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.82 -179.138 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 73.1 t -64.63 -43.65 96.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.577 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 59.2 ttt85 -61.27 -43.63 98.56 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 120.808 0.337 . . . . 0.0 110.833 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 84' ' ' CYS . . . . . . . . . . . . . 90.2 m -61.61 -41.57 97.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.159 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 47.3 tpp -63.03 -45.68 91.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.367 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -63.46 -40.52 97.35 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.446 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 87' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -48.33 174.19 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.515 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -73.27 70.94 1.19 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.26 0.552 . . . . 0.0 110.062 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 26.4 t . . . . . 0 C--N 1.32 -0.685 0 CA-C-O 118.043 -0.979 . . . . 0.0 110.859 179.583 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' I' I ' 144' ' ' ARG . . . . . . . . . . . . . 10.0 tpp180 . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' I' I ' 145' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -67.89 -27.42 66.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.397 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 146' ' ' VAL . . . . . . . . . . . . . 8.4 t 61.95 104.27 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.302 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 147' ' ' ARG . . . . . 0.446 ' O ' ' O ' ' I' ' 148' ' ' ILE . 36.0 mmt180 -97.48 15.22 23.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.488 -179.49 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' I' I ' 148' ' ' ILE . . . . . 0.446 ' O ' ' O ' ' I' ' 147' ' ' ARG . 28.5 mt 56.46 117.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.68 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' I' I ' 149' ' ' SER . . . . . 0.446 ' OG ' ' OD1' ' I' ' 151' ' ' ASP . 17.7 t -82.4 119.43 24.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.809 -179.746 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' I' I ' 150' ' ' ALA . . . . . . . . . . . . . . . -62.88 -40.15 96.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.443 179.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 151' ' ' ASP . . . . . 0.446 ' OD1' ' OG ' ' I' ' 149' ' ' SER . 3.8 p-10 -63.38 -39.01 93.35 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.621 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . -60.76 -44.98 96.05 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.488 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 40.7 ttp -70.34 -43.16 70.8 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.616 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 154' ' ' MET . . . . . 0.454 ' O ' ' O ' ' I' ' 157' ' ' LEU . 4.5 tpp -61.83 -21.01 64.27 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.37 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -56.05 -41.25 74.75 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.628 -0.429 . . . . 0.0 109.864 -178.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . -63.45 -39.69 95.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.847 0.356 . . . . 0.0 110.455 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 157' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' I' ' 159' ' ' GLY . 1.3 tt -93.11 114.85 27.48 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.262 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' I' I ' 158' ' ' LEU . . . . . . . . . . . . . 17.9 mt 55.07 -87.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.456 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 159' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' I' ' 157' ' ' LEU . . . 163.37 171.93 30.23 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.874 -0.891 . . . . 0.0 110.874 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' I' I ' 160' ' ' ALA . . . . . 0.864 ' H ' ' NE2' ' I' ' 162' ' ' HIS . . . -145.97 -108.55 0.1 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.674 0.273 . . . . 0.0 110.635 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' I' I ' 161' ' ' ARG . . . . . 0.444 ' C ' ' CG ' ' I' ' 162' ' ' HIS . 79.4 ttt180 -104.88 110.97 23.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.204 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' I' I ' 162' ' ' HIS . . . . . 0.864 ' NE2' ' H ' ' I' ' 160' ' ' ALA . 0.3 OUTLIER 172.48 -104.65 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.203 179.607 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' I' I ' 163' ' ' LYS . . . . . 0.496 ' N ' ' HD1' ' I' ' 162' ' ' HIS . 41.8 mtmt -71.26 -15.96 62.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.195 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' I' I ' 164' ' ' GLU . . . . . 0.609 ' H ' ' HD1' ' I' ' 162' ' ' HIS . 88.1 tt0 -138.55 151.92 47.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.341 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' I' I ' 165' ' ' SER . . . . . . . . . . . . . 70.5 m -96.55 154.95 16.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.603 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 166' ' ' LEU . . . . . . . . . . . . . 89.1 mt -89.14 154.11 20.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.072 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 167' ' ' ASP . . . . . 0.439 ' O ' ' O ' ' I' ' 168' ' ' LEU . 61.9 t0 54.73 38.7 30.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.535 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' I' I ' 168' ' ' LEU . . . . . 0.439 ' O ' ' O ' ' I' ' 167' ' ' ASP . 0.9 OUTLIER 49.64 104.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.021 179.714 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' I' I ' 169' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 53.4 -90.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.449 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 170' ' ' ALA . . . . . 0.43 ' OXT' ' O ' ' I' ' 167' ' ' ASP . . . . . . . . 0 C--O 1.219 -0.529 0 CA-C-O 118.126 -0.94 . . . . 0.0 110.49 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 18.5 mmt . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -60.9 -35.67 77.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.372 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -58.6 -45.62 88.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.932 -179.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 96.5 mt -66.93 -42.41 88.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.991 0.425 . . . . 0.0 110.689 179.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 5' ' ' TYR . . . . . 0.479 ' OH ' ' CG1' ' C' ' 82' ' ' VAL . 85.4 t80 -60.59 -48.48 81.59 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.474 -179.379 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 11.1 tptp -63.21 -41.91 99.22 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.55 -36.59 83.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.487 179.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.97 -42.9 99.64 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.123 -0.631 . . . . 0.0 109.897 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 54.1 t -61.91 -46.82 95.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.533 179.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -68.97 -29.5 67.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.189 179.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 11' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' C' ' 12' ' ' LEU . 50.5 tt0 -61.8 -37.84 85.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.679 -179.65 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' C' ' 11' ' ' GLN . 88.0 mt -38.34 142.01 0.21 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.915 0.388 . . . . 0.0 110.692 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 74.9 p -72.73 163.2 28.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.897 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 14' ' ' GLU . . . . . 0.407 ' O ' ' OD1' ' C' ' 18' ' ' ASN . 24.9 pt-20 -64.49 -34.17 77.59 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.75 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -66.32 -43.43 86.24 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.016 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -63.92 -41.4 97.66 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.039 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -63.98 -39.98 95.37 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.636 179.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 18' ' ' ASN . . . . . 0.407 ' OD1' ' O ' ' C' ' 14' ' ' GLU . 27.9 m120 -63.75 -39.18 93.65 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 119.781 -0.768 . . . . 0.0 111.158 -179.635 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -62.39 -41.06 98.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.882 0.372 . . . . 0.0 111.522 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -70.27 -37.21 74.83 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.405 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -58.83 -45.17 90.64 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.91 -42.99 99.73 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.404 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.01 -41.12 95.94 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.118 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 24' ' ' PHE . . . . . 0.48 ' CD1' ' CZ ' ' C' ' 74' ' ' PHE . 42.3 t80 -59.11 -44.71 92.0 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.385 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -58.94 -41.89 88.49 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.109 -178.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 17.1 pt -83.78 -20.98 8.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.972 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 27' ' ' PHE . . . . . 0.471 ' C ' ' H ' ' C' ' 29' ' ' LEU . 0.5 OUTLIER -62.97 -41.65 99.6 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.195 -0.602 . . . . 0.0 109.69 179.246 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 14.1 m -73.2 18.86 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.67 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 29' ' ' LEU . . . . . 0.471 ' H ' ' C ' ' C' ' 27' ' ' PHE . 2.3 pp -42.91 -44.53 4.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.781 0.324 . . . . 0.0 111.225 179.603 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 30' ' ' GLY . . . . . 0.425 ' H ' ' HG ' ' C' ' 29' ' ' LEU . . . -103.78 14.72 53.0 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.54 -0.624 . . . . 0.0 111.54 -179.378 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -120.99 97.71 5.66 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.153 0.501 . . . . 0.0 110.278 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -74.26 -12.42 60.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.994 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -79.84 -17.8 52.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.621 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.37 5.74 84.75 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 35' ' ' CYS . . . . . . . . . . . . . 80.3 m -126.94 151.65 48.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.683 0.277 . . . . 0.0 110.358 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 5.8 mm -86.09 120.35 35.81 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.189 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 40.2 m -129.36 -178.71 4.78 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.017 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 68.6 p -60.8 -29.56 69.53 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.877 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -62.57 -48.49 79.25 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.65 -0.42 . . . . 0.0 111.137 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 40' ' ' GLU . . . . . 0.458 ' OE2' ' O ' ' C' ' 27' ' ' PHE . 2.3 tt0 -70.69 -39.97 73.18 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-O 121.155 0.502 . . . . 0.0 111.159 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.33 -31.89 67.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.902 -179.221 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 42' ' ' GLY . . . . . 0.494 ' O ' ' NH1' ' C' ' 46' ' ' ARG . . . -61.71 -38.13 95.4 Favored Glycine 0 CA--C 1.527 0.838 0 N-CA-C 111.368 -0.693 . . . . 0.0 111.368 179.6 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.97 -41.49 74.38 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.343 0.592 . . . . 0.0 110.262 -179.142 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 69.2 t -62.71 -43.04 98.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.333 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 22.2 mmt -61.46 -40.02 92.98 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.154 -179.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 46' ' ' ARG . . . . . 0.494 ' NH1' ' O ' ' C' ' 42' ' ' GLY . 82.6 mtt85 -61.77 -39.85 93.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.792 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 21.0 ttt -64.1 -37.28 86.88 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.138 0.494 . . . . 0.0 110.086 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 96.1 mt -73.35 -9.08 58.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.618 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 88.52 16.37 58.75 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.291 -0.723 . . . . 0.0 111.291 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -104.15 150.51 24.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.831 0.348 . . . . 0.0 110.251 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 53.4 p30 -132.23 63.34 67.93 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.403 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -73.3 -170.5 0.66 Allowed 'Trans proline' 0 C--N 1.303 -1.844 0 C-N-CA 122.771 2.314 . . . . 0.0 111.796 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -119.23 154.14 53.6 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.241 -179.512 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo -63.39 -27.93 71.29 Favored 'Trans proline' 0 N--CA 1.494 1.552 0 C-N-CA 122.131 1.887 . . . . 0.0 112.66 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -63.96 -49.0 74.25 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.384 0.612 . . . . 0.0 111.068 -178.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -70.92 -34.63 71.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.166 -0.924 . . . . 0.0 110.422 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 77.4 mt -63.81 -39.64 94.73 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.925 179.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 22.0 tm0? -63.95 -42.94 97.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.625 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -62.23 -38.65 90.04 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.619 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 28.4 ttt -59.5 -46.68 88.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.327 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.76 -40.53 89.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.2 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -59.37 -32.62 70.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.003 -179.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -59.56 -43.52 93.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.893 -179.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 12.5 m -92.17 -28.71 4.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.593 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 65' ' ' ASP . . . . . 0.453 ' OD2' ' N ' ' C' ' 69' ' ' SER . 53.4 t0 -77.63 110.69 12.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.04 0.448 . . . . 0.0 110.386 -179.435 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 58.0 mp0 -67.02 -39.68 87.08 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.767 -179.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 67' ' ' ASP . . . . . 0.431 ' OD1' ' OD1' ' C' ' 65' ' ' ASP . 1.6 p30 -76.71 -13.47 60.04 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.923 -179.521 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 66.54 18.08 67.44 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.51 -1.036 . . . . 0.0 110.51 178.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 69' ' ' SER . . . . . 0.453 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 95.7 p -61.08 -21.5 63.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.686 0.279 . . . . 0.0 110.639 -179.214 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.01 11.24 79.27 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 73.0 p -133.9 157.16 46.68 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 30.6 t -121.93 123.64 69.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 57.2 p30 -97.44 -169.77 1.9 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.407 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 74' ' ' PHE . . . . . 0.48 ' CZ ' ' CD1' ' C' ' 24' ' ' PHE . 25.1 m-85 -60.11 -48.89 79.84 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.59 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -63.25 -45.14 92.93 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.301 -179.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.59 -36.36 80.75 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -57.6 -47.67 81.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.211 179.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -61.85 -39.29 91.33 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.14 -0.624 . . . . 0.0 110.368 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 53.8 t -62.83 -41.93 94.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.193 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 17.0 tmm? -70.14 -37.47 75.28 Favored 'General case' 0 C--N 1.313 -0.987 0 C-N-CA 120.332 -0.547 . . . . 0.0 109.952 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 10.6 tpt -64.71 -49.03 72.48 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.191 -178.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 82' ' ' VAL . . . . . 0.479 ' CG1' ' OH ' ' C' ' 5' ' ' TYR . 5.3 p -67.59 -39.6 82.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.925 0.393 . . . . 0.0 110.295 -179.519 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 83' ' ' ARG . . . . . 0.427 ' N ' ' CG1' ' C' ' 82' ' ' VAL . 40.1 ttt180 -61.35 -41.01 96.36 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.494 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 84' ' ' CYS . . . . . . . . . . . . . 98.5 m -61.78 -41.5 97.79 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.56 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 88.7 mmm -62.98 -41.21 99.5 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.476 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 50.6 mtpt -70.49 -28.87 65.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.188 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 87' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -60.75 151.31 29.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.405 -179.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -113.95 74.2 0.86 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.514 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.323 -0.555 0 CA-C-O 117.959 -1.02 . . . . 0.0 110.608 179.553 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' I' I ' 144' ' ' ARG . . . . . . . . . . . . . 44.3 ttm180 . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' I' I ' 145' ' ' ARG . . . . . . . . . . . . . 28.9 ttp180 -96.09 -32.46 12.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.982 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 146' ' ' VAL . . . . . . . . . . . . . 21.3 m -73.63 119.6 21.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.082 -179.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 147' ' ' ARG . . . . . . . . . . . . . 5.4 mtm-85 -67.34 -40.53 85.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.036 179.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 148' ' ' ILE . . . . . . . . . . . . . 96.3 mt -119.68 131.45 72.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.618 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 149' ' ' SER . . . . . . . . . . . . . 87.8 p -123.24 161.45 24.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.405 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 150' ' ' ALA . . . . . . . . . . . . . . . -60.75 -39.54 89.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.463 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 151' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -60.1 -45.63 92.29 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.189 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . -61.63 -43.39 98.95 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.726 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 3.8 mmt -62.88 -45.01 94.55 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.978 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 154' ' ' MET . . . . . . . . . . . . . 91.3 mmm -70.88 -34.04 71.2 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.375 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -58.8 -46.64 87.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.28 -179.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . -69.91 -32.47 70.8 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.036 0.446 . . . . 0.0 109.975 178.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 157' ' ' LEU . . . . . 0.468 ' O ' ' CB ' ' I' ' 158' ' ' LEU . 2.3 tp -64.92 -7.83 13.1 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.74 -179.632 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' I' I ' 158' ' ' LEU . . . . . 0.468 ' CB ' ' O ' ' I' ' 157' ' ' LEU . 1.4 tp 80.32 37.3 0.11 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.857 0.361 . . . . 0.0 110.298 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' I' I ' 159' ' ' GLY . . . . . . . . . . . . . . . -61.16 -41.29 99.43 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.839 -0.905 . . . . 0.0 110.839 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 160' ' ' ALA . . . . . . . . . . . . . . . 52.73 90.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 121.071 -0.252 . . . . 0.0 111.044 179.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 161' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 57.65 44.24 21.05 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.314 179.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 162' ' ' HIS . . . . . 0.539 ' O ' ' ND1' ' I' ' 162' ' ' HIS . 22.1 p80 -68.23 97.19 0.7 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.511 -179.709 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' I' I ' 163' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt 47.43 -173.54 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.646 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 164' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -103.96 -18.2 14.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.555 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 165' ' ' SER . . . . . . . . . . . . . 31.2 t -166.85 170.9 11.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.768 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 166' ' ' LEU . . . . . . . . . . . . . 88.0 mt -87.54 -5.55 58.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.481 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 167' ' ' ASP . . . . . 0.417 ' CG ' ' H ' ' I' ' 168' ' ' LEU . 49.1 t0 60.29 -126.71 1.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.376 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' I' I ' 168' ' ' LEU . . . . . 0.417 ' H ' ' CG ' ' I' ' 167' ' ' ASP . 0.9 OUTLIER -153.97 -66.02 0.14 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.571 179.736 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' I' I ' 169' ' ' ARG . . . . . . . . . . . . . 36.3 ptt-85 -95.05 145.33 25.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.626 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 170' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.978 -1.01 . . . . 0.0 110.512 -179.995 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 66.8 mtt . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -149.33 -37.72 0.16 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.6 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.29 -37.95 87.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.187 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 36.9 mm -63.03 -42.39 96.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.264 -178.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 5' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -64.0 -41.38 97.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.486 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 68.8 tttt -61.9 -47.44 84.94 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.44 -37.87 88.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.382 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.31 -42.6 99.5 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.172 -0.611 . . . . 0.0 110.373 -179.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . 0.466 ' CG1' ' HZ2' ' C' ' 17' ' ' LYS . 53.1 t -61.84 -47.89 91.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.156 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -70.12 -33.74 72.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.018 0.437 . . . . 0.0 110.603 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 20.1 tm0? -62.48 -39.26 92.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.181 -179.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 43.7 mt -58.73 145.91 38.61 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.943 0.401 . . . . 0.0 110.774 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 13' ' ' THR . . . . . 0.448 ' OG1' ' OE1' ' C' ' 16' ' ' GLN . 65.0 p -70.86 167.43 18.97 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.657 -179.52 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -62.46 -38.33 89.39 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.18 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.95 -45.85 91.89 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.752 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 16' ' ' GLN . . . . . 0.45 ' O ' ' CD2' ' C' ' 20' ' ' PHE . 4.2 mp0 -60.88 -43.45 98.44 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.534 -0.466 . . . . 0.0 110.156 179.417 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 17' ' ' LYS . . . . . 0.466 ' HZ2' ' CG1' ' C' ' 9' ' ' VAL . 14.6 mmmt -64.49 -40.21 95.24 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.544 179.294 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -63.9 -40.24 96.05 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 120.407 -0.517 . . . . 0.0 111.591 -179.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -61.9 -43.01 99.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.179 0.514 . . . . 0.0 111.099 -179.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . 0.45 ' CD2' ' O ' ' C' ' 16' ' ' GLN . 18.3 m-85 -70.6 -40.25 73.33 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.134 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -60.09 -40.7 90.48 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.942 179.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.73 -42.47 97.37 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.159 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.95 -40.04 94.19 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.314 179.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -59.58 -44.96 93.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.067 179.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -59.29 -39.74 83.94 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.908 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 95.4 mt -68.85 -40.71 81.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.909 0.385 . . . . 0.0 110.721 178.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 27' ' ' PHE . . . . . 0.417 ' C ' ' H ' ' C' ' 29' ' ' LEU . 4.8 m-85 -56.01 -39.8 72.45 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.629 -0.429 . . . . 0.0 111.262 -179.681 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 31.4 m -78.21 21.71 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.009 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 29' ' ' LEU . . . . . 0.417 ' H ' ' C ' ' C' ' 27' ' ' PHE . 1.7 pp -45.55 -29.35 1.15 Allowed 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.824 179.435 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . -129.38 34.78 2.72 Favored Glycine 0 CA--C 1.528 0.896 0 C-N-CA 121.114 -0.565 . . . . 0.0 112.329 -179.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -124.16 107.22 11.01 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.948 0.404 . . . . 0.0 110.984 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -71.74 -29.32 64.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.827 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 53.6 p-10 -71.93 -15.95 62.1 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.707 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 81.49 18.44 68.61 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 35' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -124.19 165.19 18.02 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.728 0.299 . . . . 0.0 110.461 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 87.8 mt -106.03 127.37 61.2 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.152 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 4.6 t -131.97 -165.47 1.59 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.045 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 77.3 p -65.97 -25.65 67.2 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.31 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -66.43 -50.68 62.57 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.189 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 60.2 mp0 -66.24 -42.83 88.05 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 121.076 0.465 . . . . 0.0 110.95 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 18.8 mt -67.92 -36.25 79.86 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.259 179.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.12 -40.22 96.87 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -70.1 -40.52 74.89 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.099 0.476 . . . . 0.0 110.734 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 71.8 t -62.78 -46.53 96.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.843 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 76.2 mtp -63.85 -38.2 90.21 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 120.103 -0.639 . . . . 0.0 110.167 -179.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 24.7 tpt85 -59.77 -43.34 94.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.363 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 7.4 tpt -61.23 -38.14 85.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.981 0.42 . . . . 0.0 110.2 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 82.7 mt -64.92 -15.53 62.2 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.663 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 98.6 11.11 48.58 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -98.37 145.69 26.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.982 0.42 . . . . 0.0 110.579 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -129.88 68.91 81.37 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.278 179.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -75.68 -167.85 0.48 Allowed 'Trans proline' 0 C--N 1.307 -1.617 0 C-N-CA 122.939 2.426 . . . . 0.0 111.195 179.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 47.0 p -122.39 151.66 59.78 Favored Pre-proline 0 CA--C 1.535 0.377 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -49.1 -32.82 25.24 Favored 'Trans proline' 0 N--CA 1.496 1.644 0 C-N-CA 122.046 1.831 . . . . 0.0 112.606 179.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -62.68 -41.74 99.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.133 0.492 . . . . 0.0 110.46 -178.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -65.99 -45.2 82.47 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.629 -179.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 11.0 mp -65.2 -40.1 93.72 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.401 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -63.52 -43.93 95.73 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.578 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -65.77 -39.36 90.92 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.722 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 74.7 mtp -58.04 -46.63 85.03 Favored 'General case' 0 CA--C 1.516 -0.352 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.892 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 61' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' C' ' 65' ' ' ASP . 96.7 mt -66.73 -40.37 85.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 C-N-CA 120.135 -0.626 . . . . 0.0 110.716 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -59.51 -44.96 92.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.966 -179.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -63.69 -41.33 98.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.854 0.359 . . . . 0.0 110.899 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 90.9 t -78.9 -32.91 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.84 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 65' ' ' ASP . . . . . 0.532 ' OD2' ' N ' ' C' ' 69' ' ' SER . 49.2 t0 -85.5 113.83 22.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.677 -179.344 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -73.2 -35.84 66.43 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.703 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 67' ' ' ASP . . . . . 0.425 ' OD1' ' OD1' ' C' ' 65' ' ' ASP . 0.5 OUTLIER -76.74 -12.46 59.99 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.185 -179.69 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 67.71 19.33 71.14 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 110.751 -0.94 . . . . 0.0 110.751 179.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 69' ' ' SER . . . . . 0.532 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 90.5 p -60.51 -22.98 64.19 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.894 -179.298 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 86.09 2.8 85.65 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 62.8 p -133.57 164.26 27.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.722 0.296 . . . . 0.0 110.578 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 91.8 t -118.41 123.07 71.02 Favored 'Isoleucine or valine' 0 C--O 1.231 0.121 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.404 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 73' ' ' ASP . . . . . 0.473 ' CG ' ' H ' ' C' ' 74' ' ' PHE . 35.2 t0 -100.21 -173.69 2.49 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.249 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 74' ' ' PHE . . . . . 0.473 ' H ' ' CG ' ' C' ' 73' ' ' ASP . 88.2 t80 -59.21 -48.96 79.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.187 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.32 -44.77 95.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -68.33 -36.42 79.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.953 179.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -57.43 -47.95 80.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.433 179.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 25.1 mt -62.07 -40.71 96.73 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 119.979 -0.689 . . . . 0.0 110.39 179.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 2.1 t -68.02 -32.63 57.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.125 179.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 3.4 ttt -63.27 -39.37 94.4 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.432 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 4.2 mtp -80.68 -42.01 22.75 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.204 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 53.4 t -61.43 -40.79 87.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.457 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 7.8 tpt85 -57.7 -45.95 85.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.317 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 84' ' ' CYS . . . . . . . . . . . . . 97.7 m -61.13 -46.52 90.23 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.356 -0.538 . . . . 0.0 111.033 -179.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 61.1 mtt -69.53 -42.54 74.51 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.656 -0.418 . . . . 0.0 111.228 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 12.6 ttmt -67.71 -41.57 83.34 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 87' ' ' ASP . . . . . 0.518 ' CG ' ' H ' ' C' ' 88' ' ' ASP . 18.1 t0 62.73 -150.45 0.35 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.212 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 88' ' ' ASP . . . . . 0.518 ' H ' ' CG ' ' C' ' 87' ' ' ASP . 57.7 p30 -123.01 72.02 1.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.398 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 117.909 -1.043 . . . . 0.0 110.622 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 144' ' ' ARG . . . . . . . . . . . . . 76.8 mtm180 . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' I' I ' 145' ' ' ARG . . . . . . . . . . . . . 4.4 ttp180 -143.69 171.44 14.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.39 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 146' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.9 -44.79 98.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.497 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 147' ' ' ARG . . . . . 0.404 ' HG2' ' H ' ' I' ' 148' ' ' ILE . 40.3 ttt180 39.69 -139.43 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.491 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' I' I ' 148' ' ' ILE . . . . . 0.404 ' H ' ' HG2' ' I' ' 147' ' ' ARG . 19.3 tt -63.01 -27.89 44.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.709 179.74 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' I' I ' 149' ' ' SER . . . . . . . . . . . . . 1.4 t 71.98 94.67 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.698 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 150' ' ' ALA . . . . . . . . . . . . . . . -60.73 -38.99 86.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.525 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 151' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -58.8 -50.41 74.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.099 -179.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . -63.34 -40.24 96.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.131 0.491 . . . . 0.0 110.808 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 54.1 ttp -61.3 -43.05 99.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.131 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 154' ' ' MET . . . . . . . . . . . . . 59.5 tpp -62.15 -40.62 96.58 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -59.2 -43.46 92.23 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.548 -179.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . -62.93 -52.78 61.72 Favored 'General case' 0 C--N 1.316 -0.86 0 C-N-CA 119.818 -0.753 . . . . 0.0 110.965 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 157' ' ' LEU . . . . . . . . . . . . . 93.0 mt -43.36 -72.49 0.06 Allowed 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.806 -178.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 158' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.02 63.86 1.61 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.433 0.635 . . . . 0.0 110.026 -179.475 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' I' I ' 159' ' ' GLY . . . . . . . . . . . . . . . -145.38 -81.76 0.05 OUTLIER Glycine 0 CA--C 1.523 0.545 0 C-N-CA 120.136 -1.03 . . . . 0.0 111.479 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 160' ' ' ALA . . . . . . . . . . . . . . . 71.27 57.5 0.19 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.926 0.393 . . . . 0.0 110.769 -179.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 161' ' ' ARG . . . . . . . . . . . . . 85.3 mtp180 55.25 43.45 29.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.82 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 162' ' ' HIS . . . . . 0.551 ' ND1' ' O ' ' I' ' 164' ' ' GLU . 9.3 p80 -63.84 -19.97 65.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.38 179.607 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' I' I ' 163' ' ' LYS . . . . . . . . . . . . . 33.8 tttp 44.26 38.9 2.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.524 179.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 164' ' ' GLU . . . . . 0.551 ' O ' ' ND1' ' I' ' 162' ' ' HIS . 18.2 tp10 -150.29 132.44 15.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.459 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' I' I ' 165' ' ' SER . . . . . 0.478 ' HG ' ' H ' ' I' ' 166' ' ' LEU . 1.1 t 73.2 -173.73 0.15 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.66 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' I' I ' 166' ' ' LEU . . . . . 0.478 ' H ' ' HG ' ' I' ' 165' ' ' SER . 1.5 tp 39.32 91.99 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.613 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' I' I ' 167' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -84.01 138.95 32.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.435 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 168' ' ' LEU . . . . . . . . . . . . . 1.1 tt -62.0 -42.84 99.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.136 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 169' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -96.73 103.46 15.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.271 179.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 170' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.08 -0.962 . . . . 0.0 110.534 179.804 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 39.9 mtt . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 2' ' ' ASP . . . . . 0.547 ' OD1' ' N ' ' C' ' 3' ' ' ASP . 2.5 p30 -62.85 -47.33 83.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 3' ' ' ASP . . . . . 0.547 ' N ' ' OD1' ' C' ' 2' ' ' ASP . 99.1 m-20 -61.29 -42.04 97.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.503 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 4' ' ' ILE . . . . . 0.403 ' O ' ' N ' ' C' ' 8' ' ' ALA . 4.5 mm -66.78 -38.94 82.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.542 178.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 5' ' ' TYR . . . . . . . . . . . . . 31.6 t80 -53.97 -52.65 60.02 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.969 -178.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -62.67 -44.12 97.08 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.005 0.431 . . . . 0.0 110.513 178.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.22 -36.06 80.8 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.203 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' C' ' 4' ' ' ILE . . . -59.81 -41.53 91.44 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.777 0.322 . . . . 0.0 110.472 -179.219 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 55.6 t -63.68 -46.86 93.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.959 179.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 -71.65 -36.36 70.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.143 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -63.01 -39.22 94.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.03 -179.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 8.6 mt -43.43 132.15 4.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.664 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 13' ' ' THR . . . . . 0.574 ' HG1' HE21 ' C' ' 16' ' ' GLN . 82.0 p -70.37 165.41 22.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.733 -179.719 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -63.41 -37.68 88.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.512 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -62.1 -44.96 95.53 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.358 -179.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 16' ' ' GLN . . . . . 0.574 HE21 ' HG1' ' C' ' 13' ' ' THR . 67.2 mt-30 -64.06 -41.16 97.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.471 179.123 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.73 -39.76 95.07 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.718 179.181 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -62.49 -40.01 95.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.615 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -61.57 -43.99 97.84 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.716 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -66.1 -39.05 89.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.506 179.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 56.8 tttm -60.4 -42.04 95.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.153 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.76 -40.82 93.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.178 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.75 -38.6 88.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.418 179.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -58.5 -46.44 86.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.185 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -60.14 -41.4 92.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.323 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 97.9 mt -69.47 -37.65 75.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.337 0.589 . . . . 0.0 110.211 178.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.56 -40.54 75.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.577 -178.566 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 29.2 m -82.06 23.19 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.085 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 29' ' ' LEU . . . . . 0.415 ' C ' ' CD1' ' C' ' 29' ' ' LEU . 3.8 pp -60.21 -10.34 4.41 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.49 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . -125.17 15.03 7.36 Favored Glycine 0 CA--C 1.522 0.479 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 31' ' ' ALA . . . . . 0.4 ' CB ' ' O ' ' C' ' 35' ' ' CYS . . . -125.12 124.21 41.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.794 0.33 . . . . 0.0 110.616 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -86.5 -14.04 44.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.572 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -93.25 -7.48 44.96 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.587 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 81.07 17.13 72.87 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 35' ' ' CYS . . . . . 0.4 ' O ' ' CB ' ' C' ' 31' ' ' ALA . 31.3 p -112.58 158.22 20.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.746 0.308 . . . . 0.0 110.563 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 87.5 mt -110.87 123.2 66.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.411 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 52.5 p -125.88 -165.9 1.49 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.313 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 74.4 p -64.23 -33.38 75.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.027 0.441 . . . . 0.0 110.255 -179.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 53.3 mttp -64.06 -41.64 97.28 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.622 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.53 -46.44 63.62 Favored 'General case' 0 C--O 1.23 0.063 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.811 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 11.2 mt -64.12 -17.66 63.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.566 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.32 -37.43 93.06 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 51.4 mmtt -64.73 -39.61 93.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.976 0.417 . . . . 0.0 110.547 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 69.8 t -61.77 -41.85 92.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.099 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 34.0 mmt -60.48 -41.29 93.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.649 -179.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -61.78 -41.21 97.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.435 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 4.4 mmt -61.12 -33.22 73.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.774 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 96.6 mt -78.95 -5.31 53.46 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.618 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.3 20.87 71.4 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -115.96 143.61 45.21 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.782 0.325 . . . . 0.0 110.538 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -134.43 68.65 73.0 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.448 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -77.41 -168.15 0.56 Allowed 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 123.05 2.5 . . . . 0.0 112.268 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.77 155.97 41.27 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.776 -179.771 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -59.07 -29.14 89.78 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.707 2.271 . . . . 0.0 112.311 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -61.26 -37.74 84.21 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.116 0.484 . . . . 0.0 109.887 -179.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -64.87 -39.36 93.41 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.111 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 57' ' ' LEU . . . . . 0.465 ' N ' ' CD2' ' C' ' 57' ' ' LEU . 4.2 mm? -61.01 -39.99 91.85 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.792 179.472 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -63.66 -42.4 98.08 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.812 179.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.31 -40.99 96.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.345 -179.204 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 68.3 mtt -62.4 -42.99 99.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.559 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.37 -44.72 94.56 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.258 0 CA-C-O 121.169 0.509 . . . . 0.0 110.364 179.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -60.97 -40.01 91.77 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.771 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -60.98 -46.02 92.44 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.113 -178.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 32.4 m -80.45 -31.06 12.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.852 -179.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 65' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -71.41 123.33 22.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.552 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -70.26 -39.65 74.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.443 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 58.3 p30 -89.76 -10.58 45.04 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.937 -179.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 66.13 25.1 72.14 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.684 -0.966 . . . . 0.0 110.684 179.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 83.0 p -55.77 -27.5 51.23 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.649 -179.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 101.06 2.4 54.79 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 179.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 56.9 p -137.04 162.24 33.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.62 0.248 . . . . 0.0 110.601 179.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 90.6 t -119.43 126.24 75.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.605 179.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -105.78 -169.64 1.62 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.713 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -59.79 -48.95 79.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.681 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -62.27 -51.03 69.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.926 0.393 . . . . 0.0 110.717 -179.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -64.45 -35.16 80.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.417 178.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -56.81 -47.66 79.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.316 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 74.0 mt -62.48 -39.08 92.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.552 178.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 72.3 t -65.27 -41.23 90.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.782 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 67.8 ttp -62.63 -40.48 97.12 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.369 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 6.8 mmt -67.06 -45.13 78.28 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.769 -179.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 72.7 t -68.13 -39.77 81.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.506 179.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 83' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' C' ' 87' ' ' ASP . 75.4 ttt180 -59.23 -44.88 92.31 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.472 -179.065 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 84' ' ' CYS . . . . . . . . . . . . . 97.3 m -63.13 -42.32 99.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.567 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 85.8 mtp -65.15 -42.12 94.06 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.738 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 2.8 mmtp -80.5 -20.21 44.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.001 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 87' ' ' ASP . . . . . 0.4 ' N ' ' O ' ' C' ' 83' ' ' ARG . 11.0 m-20 67.12 -126.19 0.2 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.549 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 88' ' ' ASP . . . . . 0.43 ' O ' ' OXT' ' C' ' 89' ' ' SER . 96.6 m-20 -85.97 70.98 10.67 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 121.038 0.447 . . . . 0.0 110.547 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 89' ' ' SER . . . . . 0.43 ' OXT' ' O ' ' C' ' 88' ' ' ASP . 14.3 t . . . . . 0 C--N 1.323 -0.565 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.552 179.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 144' ' ' ARG . . . . . . . . . . . . . 40.9 mtt-85 . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' I' I ' 145' ' ' ARG . . . . . . . . . . . . . 31.8 ptt85 -66.88 145.81 55.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.705 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 146' ' ' VAL . . . . . 0.414 ' O ' ' CG1' ' I' ' 146' ' ' VAL . 7.3 p -166.54 99.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.511 179.558 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' I' I ' 147' ' ' ARG . . . . . . . . . . . . . 21.2 ptt85 -157.73 146.99 19.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.755 179.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 148' ' ' ILE . . . . . 0.513 ' O ' ' O ' ' I' ' 149' ' ' SER . 97.0 mt -61.63 -50.29 80.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.648 -179.45 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' I' I ' 149' ' ' SER . . . . . 0.513 ' O ' ' O ' ' I' ' 148' ' ' ILE . 13.4 t 54.04 150.92 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 121.268 0.556 . . . . 0.0 110.821 179.372 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' I' I ' 150' ' ' ALA . . . . . . . . . . . . . . . -63.69 -18.69 64.25 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.331 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 151' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -59.69 -40.79 89.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.44 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . -63.95 -41.35 97.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.565 179.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 66.0 mtt -65.58 -40.34 92.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.496 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 154' ' ' MET . . . . . 0.449 ' O ' ' O ' ' I' ' 157' ' ' LEU . 21.8 mmt -61.81 -42.54 99.14 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.562 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 24.4 tm0? -66.79 -41.7 87.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.839 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . -63.65 -42.46 98.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 157' ' ' LEU . . . . . 0.449 ' O ' ' O ' ' I' ' 154' ' ' MET . 5.0 mp -104.58 -177.81 3.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.756 -179.733 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' I' I ' 158' ' ' LEU . . . . . . . . . . . . . 91.9 mt 48.64 -128.01 1.96 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.517 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 159' ' ' GLY . . . . . . . . . . . . . . . -69.98 146.69 43.5 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 160' ' ' ALA . . . . . . . . . . . . . . . -87.4 -17.01 33.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.794 0.331 . . . . 0.0 110.708 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 161' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -155.65 147.63 23.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.658 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 162' ' ' HIS . . . . . . . . . . . . . 31.1 p80 -163.81 162.02 23.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.686 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 163' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -111.48 -15.02 13.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.765 179.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 164' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -100.01 75.72 1.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.647 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 165' ' ' SER . . . . . . . . . . . . . 45.0 t -68.92 140.87 55.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.488 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 166' ' ' LEU . . . . . 0.663 ' H ' ' CD1' ' I' ' 166' ' ' LEU . 0.0 OUTLIER -110.06 90.41 3.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.031 0.443 . . . . 0.0 110.428 -179.494 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' I' I ' 167' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -149.5 98.11 2.73 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.344 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 168' ' ' LEU . . . . . . . . . . . . . 59.3 mt -112.81 130.63 56.02 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.466 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 169' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.83 6.99 8.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.665 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' I' I ' 170' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 117.915 -1.04 . . . . 0.0 110.456 -179.967 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 1' ' ' MET . . . . . 0.458 ' SD ' ' O ' ' C' ' 1' ' ' MET . 2.2 tmt? . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -107.77 -65.73 1.09 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.749 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 3' ' ' ASP . . . . . 0.474 ' N ' ' OD1' ' C' ' 3' ' ' ASP . 20.2 p-10 -64.56 -43.67 93.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.864 -179.816 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 20.9 tt -63.97 -38.87 83.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.984 0.421 . . . . 0.0 110.81 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 5' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -63.27 -46.88 84.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.553 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 63.4 mmtt -60.99 -42.05 97.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.235 -179.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.27 -39.05 93.15 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.369 178.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.8 -41.13 99.14 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.328 -179.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 61.9 t -66.65 -41.85 88.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.69 -0.687 . . . . 0.0 111.197 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -72.76 -32.92 66.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.909 0.385 . . . . 0.0 110.489 -179.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 11' ' ' GLN . . . . . 0.435 ' O ' ' C ' ' C' ' 12' ' ' LEU . 6.5 tp-100 -61.85 -24.41 66.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.888 -179.044 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' C' ' 11' ' ' GLN . 1.8 mm? -33.33 145.7 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.877 0.37 . . . . 0.0 111.326 -179.212 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 71.5 p -78.09 160.03 28.32 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -65.4 -39.71 92.52 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.567 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -62.86 -43.61 98.34 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.832 -179.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -65.3 -39.29 92.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.079 0.466 . . . . 0.0 110.276 179.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.45 -38.82 81.47 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.527 179.725 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -63.46 -49.35 74.01 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.295 -0.562 . . . . 0.0 111.535 -179.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -66.63 -37.5 84.98 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.991 0.424 . . . . 0.0 110.597 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . 0.473 ' CD1' ' C ' ' C' ' 20' ' ' PHE . 0.2 OUTLIER -59.07 -51.93 67.93 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.713 179.297 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -54.66 -42.45 71.32 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.744 -0.383 . . . . 0.0 110.274 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.66 -41.58 97.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.144 0.497 . . . . 0.0 110.65 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.23 -39.21 89.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.087 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -61.99 -39.99 94.09 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.105 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -61.06 -39.25 89.15 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.543 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 1.4 mp -77.46 -38.26 26.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.942 0.401 . . . . 0.0 110.304 179.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.15 -36.58 73.22 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.791 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 23.6 m -83.79 23.05 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.845 -179.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 29' ' ' LEU . . . . . 0.409 ' HG ' ' H ' ' C' ' 30' ' ' GLY . 1.8 pp -44.03 -43.16 6.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 30' ' ' GLY . . . . . 0.409 ' H ' ' HG ' ' C' ' 29' ' ' LEU . . . -99.88 -26.85 8.2 Favored Glycine 0 CA--C 1.526 0.744 0 C-N-CA 120.992 -0.623 . . . . 0.0 111.637 -179.246 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 31' ' ' ALA . . . . . 0.491 ' N ' ' OE2' ' C' ' 40' ' ' GLU . . . -80.6 99.71 8.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.038 0.447 . . . . 0.0 110.638 -179.58 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -65.98 -34.73 78.78 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.246 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 57.6 p-10 -72.06 -13.09 61.5 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.832 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.62 20.27 56.64 Favored Glycine 0 CA--C 1.526 0.765 0 C-N-CA 120.519 -0.848 . . . . 0.0 111.445 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 35' ' ' CYS . . . . . 0.445 ' O ' ' CB ' ' C' ' 31' ' ' ALA . 79.7 m -110.74 139.98 45.54 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.702 0.287 . . . . 0.0 110.581 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 10.3 mm -95.22 133.29 36.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.845 0.355 . . . . 0.0 110.21 -179.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 37' ' ' SER . . . . . 0.426 ' HG ' ' H ' ' C' ' 38' ' ' THR . 22.8 t -134.29 -174.13 3.47 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.424 -179.765 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 38' ' ' THR . . . . . 0.426 ' H ' ' HG ' ' C' ' 37' ' ' SER . 75.6 p -64.88 -25.57 67.95 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.193 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.19 -50.7 72.05 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.506 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 40' ' ' GLU . . . . . 0.491 ' OE2' ' N ' ' C' ' 31' ' ' ALA . 96.1 mt-10 -71.93 -37.08 70.09 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.423 0.63 . . . . 0.0 111.05 179.14 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 9.6 tp -56.87 -27.83 60.95 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.22 -179.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.07 -40.88 97.69 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -68.49 -38.82 81.34 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 121.218 0.532 . . . . 0.0 109.801 179.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 65.7 t -59.85 -44.3 93.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.072 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 23.5 mmt -62.12 -39.09 91.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.625 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.14 -42.27 94.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.453 -179.549 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 77.5 mtm -65.25 -36.44 84.12 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.189 0.519 . . . . 0.0 110.408 179.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 98.1 mt -72.42 -5.97 40.29 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.544 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.72 23.91 66.07 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -121.32 140.5 52.0 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.948 0.404 . . . . 0.0 110.532 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 61.6 t-20 -135.33 69.57 68.47 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.691 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -78.1 -167.95 0.55 Allowed 'Trans proline' 0 C--N 1.304 -1.803 0 C-N-CA 123.035 2.49 . . . . 0.0 112.154 179.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 3.3 p -98.8 152.71 37.95 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.388 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -48.77 -36.2 32.6 Favored 'Trans proline' 0 N--CA 1.498 1.744 0 C-N-CA 122.223 1.949 . . . . 0.0 112.444 179.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -58.32 -35.26 71.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.191 0.52 . . . . 0.0 110.832 -179.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 74.1 mt-10 -70.57 -39.82 73.69 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.025 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 11.2 mp -59.66 -43.44 93.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.639 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -64.33 -43.62 94.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.787 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 59' ' ' GLU . . . . . 0.431 ' O ' ' OD1' ' C' ' 62' ' ' ASP . 98.3 mt-10 -64.2 -39.16 93.39 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.728 179.577 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 60' ' ' MET . . . . . 0.464 ' O ' ' SD ' ' C' ' 60' ' ' MET . 0.0 OUTLIER -57.77 -44.61 86.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.263 -179.129 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 97.0 mt -69.29 -42.21 81.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.844 179.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 62' ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' C' ' 59' ' ' GLU . 0.0 OUTLIER -55.17 -29.67 58.3 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.057 -178.934 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -62.45 -41.58 98.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.968 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 7.3 p -95.61 -31.25 4.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.857 0.36 . . . . 0.0 111.626 -179.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 65' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -69.07 115.61 8.57 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.04 0.448 . . . . 0.0 110.577 -178.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -81.47 -16.76 50.96 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.795 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -95.28 -13.38 24.89 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.599 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 69.11 13.73 67.43 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 179.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 91.9 p -64.11 -20.38 65.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.727 0.299 . . . . 0.0 110.818 -179.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 82.59 6.88 88.17 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 60.3 p -129.96 160.28 34.11 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.898 0.38 . . . . 0.0 110.591 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 57.4 t -122.16 123.0 67.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.658 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 73' ' ' ASP . . . . . 0.478 ' OD1' ' N ' ' C' ' 76' ' ' GLU . 51.2 p30 -90.31 -171.21 3.02 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.691 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -59.71 -48.94 79.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.099 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -65.88 -56.1 13.57 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.54 -179.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . 0.478 ' N ' ' OD1' ' C' ' 73' ' ' ASP . 59.7 mt-10 -52.13 -29.44 21.91 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.107 0.48 . . . . 0.0 109.819 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -70.03 -43.7 70.77 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 119.834 -0.746 . . . . 0.0 109.768 178.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 33.9 tp -64.98 -45.07 87.21 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.199 -178.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 1.1 m -66.76 -27.59 40.41 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.269 -178.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 11.5 ttp -67.42 -41.18 85.25 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 81' ' ' MET . . . . . 0.489 ' O ' ' SG ' ' C' ' 84' ' ' CYS . 81.4 mmm -63.26 -43.84 96.85 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.961 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 93.8 t -66.98 -41.61 87.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.405 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 74.3 mtp180 -60.38 -43.14 96.89 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.519 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 84' ' ' CYS . . . . . 0.566 ' HG ' ' N ' ' C' ' 85' ' ' MET . 11.1 p -67.01 -38.8 86.61 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.512 -179.302 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 85' ' ' MET . . . . . 0.566 ' N ' ' HG ' ' C' ' 84' ' ' CYS . 97.7 mtp -65.63 -41.38 92.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.714 179.448 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -75.12 -50.29 16.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.515 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 87' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -71.94 136.46 46.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.388 -179.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -126.05 73.73 1.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.435 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 26.0 p . . . . . 0 C--O 1.219 -0.504 0 CA-C-O 118.005 -0.998 . . . . 0.0 110.486 179.941 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' I' I ' 144' ' ' ARG . . . . . . . . . . . . . 80.2 mtm180 . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' I' I ' 145' ' ' ARG . . . . . . . . . . . . . 51.9 ttt85 -61.28 -39.22 89.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.169 -179.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 146' ' ' VAL . . . . . . . . . . . . . 89.5 t -79.22 125.93 38.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.538 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 147' ' ' ARG . . . . . . . . . . . . . 83.9 mtt85 -74.86 151.59 38.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.594 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 148' ' ' ILE . . . . . . . . . . . . . 6.1 mm -56.89 -72.75 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.671 -179.41 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 149' ' ' SER . . . . . . . . . . . . . 2.0 p 62.81 148.39 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.27 0.557 . . . . 0.0 111.048 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 150' ' ' ALA . . . . . . . . . . . . . . . -62.05 -36.4 81.51 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.667 179.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 151' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -55.97 -46.49 78.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.908 -179.029 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . -63.19 -39.93 96.06 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.423 179.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 10.8 mtm -59.97 -41.43 91.94 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.711 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 154' ' ' MET . . . . . . . . . . . . . 64.8 mtt -65.93 -37.91 87.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.596 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 155' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' I' ' 159' ' ' GLY . 82.3 mt-30 -60.69 -43.79 97.31 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.338 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . -63.47 -41.02 98.61 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.871 0.367 . . . . 0.0 110.656 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 157' ' ' LEU . . . . . . . . . . . . . 5.3 mt -63.7 -49.69 72.15 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.362 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 158' ' ' LEU . . . . . . . . . . . . . 1.4 mp -112.51 -59.28 2.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.688 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 159' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' I' ' 155' ' ' GLN . . . 80.18 -175.1 55.03 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.659 -0.976 . . . . 0.0 110.659 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' I' I ' 160' ' ' ALA . . . . . . . . . . . . . . . 60.28 -168.32 0.17 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.716 0.293 . . . . 0.0 110.625 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 161' ' ' ARG . . . . . . . . . . . . . 88.3 mtm-85 41.06 -114.85 0.23 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.441 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 162' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 44.13 78.05 0.06 Allowed 'General case' 0 C--N 1.334 -0.095 0 CA-C-O 120.754 0.311 . . . . 0.0 110.846 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 163' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -53.91 -60.82 2.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.685 -179.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 164' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -136.84 -66.58 0.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.721 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 165' ' ' SER . . . . . . . . . . . . . 65.6 p -165.45 102.33 0.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.613 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 166' ' ' LEU . . . . . . . . . . . . . 25.0 mt 57.07 19.22 4.55 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.54 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 167' ' ' ASP . . . . . 0.455 ' C ' ' N ' ' I' ' 169' ' ' ARG . 3.3 m-20 52.73 29.55 7.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.453 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' I' I ' 168' ' ' LEU . . . . . . . . . . . . . 1.4 mm? 45.98 17.79 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.66 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 169' ' ' ARG . . . . . 0.455 ' N ' ' C ' ' I' ' 167' ' ' ASP . 53.9 ttp180 -157.26 -51.3 0.07 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.571 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' I' I ' 170' ' ' ALA . . . . . 0.419 ' O ' ' O ' ' I' ' 169' ' ' ARG . . . . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.428 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 5.8 mmt . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -81.14 72.97 8.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.109 0.481 . . . . 0.0 110.489 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -63.03 -36.48 83.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.729 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.48 -46.53 92.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.904 -178.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 5' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -63.99 -40.63 96.81 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.921 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 4.7 mmtp -58.75 -48.43 81.21 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.382 -0.527 . . . . 0.0 109.999 179.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.93 -38.47 88.74 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.975 179.173 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.06 -43.89 98.2 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.292 -0.563 . . . . 0.0 110.201 -179.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 53.6 t -64.12 -48.49 85.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.308 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -65.65 -33.11 75.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.709 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -61.34 -27.01 68.19 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.646 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 91.2 mt -53.59 135.64 40.08 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.24 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 13' ' ' THR . . . . . 0.457 ' OG1' ' OE1' ' C' ' 16' ' ' GLN . 70.6 p -78.34 170.9 15.88 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.541 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 58.5 mp0 -60.35 -38.99 85.56 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.681 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -65.11 -43.92 90.43 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.628 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 16' ' ' GLN . . . . . 0.463 ' OE1' ' N ' ' C' ' 16' ' ' GLN . 2.4 mp0 -61.31 -42.93 99.49 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.177 179.47 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 24.1 mmtt -61.81 -41.07 97.29 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.418 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -64.93 -39.46 93.55 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 120.09 -0.644 . . . . 0.0 110.626 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -63.63 -43.88 95.55 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.318 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -67.72 -41.02 84.15 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.172 0.51 . . . . 0.0 110.318 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 56.3 tttp -60.52 -41.56 94.67 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.606 179.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.43 -44.3 95.92 Favored 'General case' 0 C--O 1.221 -0.402 0 C-N-CA 120.131 -0.628 . . . . 0.0 109.982 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.42 -38.3 90.62 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.047 0.451 . . . . 0.0 110.433 179.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -60.63 -35.17 75.51 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.401 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -59.64 -37.88 79.87 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.146 -179.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 4.1 mp -82.09 -40.46 17.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.546 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 27' ' ' PHE . . . . . 0.506 ' C ' ' H ' ' C' ' 29' ' ' LEU . 1.4 m-85 -54.8 -38.0 66.77 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.318 -0.553 . . . . 0.0 111.391 -179.542 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' C' ' 31' ' ' ALA . 31.6 m -75.11 21.07 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.351 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 29' ' ' LEU . . . . . 0.506 ' H ' ' C ' ' C' ' 27' ' ' PHE . 1.0 OUTLIER -46.55 107.56 0.11 Allowed 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 121.409 0.623 . . . . 0.0 109.746 179.309 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 99.01 -20.98 48.1 Favored Glycine 0 CA--C 1.524 0.62 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.914 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 31' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' C' ' 28' ' ' VAL . . . -87.34 91.92 8.89 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 120.224 -0.591 . . . . 0.0 109.851 179.22 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 58.6 mp0 -61.96 -34.55 76.34 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.19 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -67.3 -17.73 64.89 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.425 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.02 13.92 70.65 Favored Glycine 0 CA--C 1.52 0.397 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 35' ' ' CYS . . . . . . . . . . . . . 73.8 m -117.62 143.28 46.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.862 0.363 . . . . 0.0 110.685 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 90.4 mt -101.37 130.11 51.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.222 0.534 . . . . 0.0 110.897 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 80.1 p -125.81 -169.73 2.06 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.166 -0.924 . . . . 0.0 109.605 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 71.5 p -63.49 -22.91 67.16 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.341 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 8.8 tptm -69.39 -61.25 1.86 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.027 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -63.64 -42.24 98.16 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.175 0.512 . . . . 0.0 110.639 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 25.4 tp -63.9 -38.27 90.47 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.051 -179.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.57 -38.65 96.18 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.47 -1.052 . . . . 0.0 110.47 179.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.08 -40.11 96.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.331 0.586 . . . . 0.0 109.899 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 64.6 t -62.59 -44.94 99.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.265 179.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 9.5 mmt -60.95 -39.1 88.21 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.361 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 -58.85 -43.32 90.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.296 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 59.5 ttp -60.7 -38.84 86.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.124 0.488 . . . . 0.0 110.156 179.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 96.6 mt -71.01 -9.83 58.7 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.979 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 93.86 9.21 59.95 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.211 -0.755 . . . . 0.0 111.211 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -111.36 134.26 53.08 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.835 0.35 . . . . 0.0 110.318 179.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -133.33 75.64 69.9 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.871 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -64.82 -153.63 0.02 OUTLIER 'Trans proline' 0 C--N 1.296 -2.193 0 C-N-CA 122.484 2.123 . . . . 0.0 111.865 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 37.1 p -126.52 155.8 74.01 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.424 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -51.05 -39.83 59.9 Favored 'Trans proline' 0 N--CA 1.497 1.679 0 C-N-CA 121.78 1.653 . . . . 0.0 113.03 179.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -62.5 -44.66 95.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.486 0.66 . . . . 0.0 110.704 -178.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -66.99 -42.69 84.62 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.891 -1.05 . . . . 0.0 110.557 -179.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 95.2 mt -64.04 -39.09 93.32 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.371 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -63.32 -41.31 98.9 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.711 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -64.01 -39.62 94.53 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.68 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 28.3 ttt -59.37 -46.07 89.67 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 120.848 0.356 . . . . 0.0 110.399 -179.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 95.7 mt -64.83 -39.56 86.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.163 0.506 . . . . 0.0 110.645 179.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -59.04 -37.65 77.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.925 -179.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -59.89 -28.97 68.02 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.306 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 30.3 m -112.95 1.64 8.64 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 N-CA-C 112.181 0.438 . . . . 0.0 112.181 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 65' ' ' ASP . . . . . 0.51 ' OD1' ' N ' ' C' ' 68' ' ' GLY . 40.4 t0 -95.27 104.05 15.93 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 119.975 -0.69 . . . . 0.0 111.036 -179.234 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -65.09 -41.54 94.92 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.054 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 67' ' ' ASP . . . . . 0.437 ' OD1' ' OD1' ' C' ' 65' ' ' ASP . 2.5 p30 -84.49 -10.51 57.4 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.832 -179.308 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 68' ' ' GLY . . . . . 0.51 ' N ' ' OD1' ' C' ' 65' ' ' ASP . . . 71.71 13.82 75.1 Favored Glycine 0 CA--C 1.526 0.719 0 C-N-CA 120.589 -0.815 . . . . 0.0 111.085 179.173 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 69' ' ' SER . . . . . 0.47 ' HG ' ' HG1' ' C' ' 71' ' ' THR . 93.8 p -62.29 -21.01 64.9 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.58 0.215 . . . . 0.0 111.58 -179.307 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 70' ' ' GLY . . . . . 0.44 ' N ' ' OD2' ' C' ' 65' ' ' ASP . . . 84.96 11.56 76.3 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 110.6 -1.0 . . . . 0.0 110.6 -179.614 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 71' ' ' THR . . . . . 0.47 ' HG1' ' HG ' ' C' ' 69' ' ' SER . 59.5 p -133.29 161.17 35.2 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.686 0.279 . . . . 0.0 110.67 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 72.9 t -110.53 125.86 67.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.618 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -102.81 -179.22 3.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.64 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -58.48 -47.46 83.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.624 -179.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -61.6 -47.67 84.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.533 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -64.74 -37.28 87.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.126 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -57.45 -47.46 81.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.503 179.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 96.8 mt -61.89 -40.67 96.22 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.587 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 72.5 t -65.18 -42.44 94.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.523 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 65.4 ttp -63.07 -37.85 88.85 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-O 121.543 0.687 . . . . 0.0 109.813 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 81' ' ' MET . . . . . 0.456 ' SD ' ' O ' ' C' ' 81' ' ' MET . 0.0 OUTLIER -72.02 -41.88 67.02 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.92 -179.098 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 64.8 t -62.36 -48.02 90.28 Favored 'Isoleucine or valine' 0 C--O 1.238 0.447 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.419 -179.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 42.8 ptt85 -67.7 -32.93 73.91 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.401 -0.519 . . . . 0.0 110.055 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 84' ' ' CYS . . . . . . . . . . . . . 52.8 t -60.93 -46.32 91.14 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.347 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 16.6 tpt -60.93 -43.99 97.83 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.093 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -64.09 -40.65 96.69 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.191 179.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 87' ' ' ASP . . . . . . . . . . . . . 54.8 t0 52.5 62.68 2.57 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.222 179.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 88' ' ' ASP . . . . . 0.43 ' O ' ' O ' ' C' ' 89' ' ' SER . 86.4 m-20 -101.46 72.23 1.4 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.106 0.479 . . . . 0.0 110.623 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 89' ' ' SER . . . . . 0.43 ' O ' ' O ' ' C' ' 88' ' ' ASP . 0.8 OUTLIER . . . . . 0 C--N 1.322 -0.613 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.82 179.548 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' I' I ' 144' ' ' ARG . . . . . 0.467 ' H2 ' ' H ' ' I' ' 145' ' ' ARG . 19.0 mmt180 . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 145' ' ' ARG . . . . . 0.467 ' H ' ' H2 ' ' I' ' 144' ' ' ARG . 1.8 ptp85 -78.64 105.59 10.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.556 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' I' I ' 146' ' ' VAL . . . . . 0.422 ' O ' ' O ' ' I' ' 145' ' ' ARG . 2.7 t 58.98 135.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.525 179.551 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' I' I ' 147' ' ' ARG . . . . . . . . . . . . . 30.7 mmt180 -103.22 -163.99 1.04 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.425 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 148' ' ' ILE . . . . . . . . . . . . . 97.5 mt -59.18 -45.93 92.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.469 -179.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 149' ' ' SER . . . . . 0.459 ' OG ' ' N ' ' I' ' 150' ' ' ALA . 42.1 t 43.11 -141.26 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.394 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' I' I ' 150' ' ' ALA . . . . . 0.459 ' N ' ' OG ' ' I' ' 149' ' ' SER . . . -119.45 -22.32 7.06 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.846 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' I' I ' 151' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -66.53 -36.18 82.05 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.7 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . -60.92 -42.79 98.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.364 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 22.5 mmt -63.58 -42.06 98.32 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.691 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 154' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.41 -43.09 95.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.685 -179.434 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' I' I ' 155' ' ' GLN . . . . . 0.514 ' NE2' ' CD2' ' I' ' 162' ' ' HIS . 38.5 mm-40 -65.4 -41.07 94.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.497 179.574 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . -62.93 -42.27 99.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 157' ' ' LEU . . . . . . . . . . . . . 8.0 mp -75.24 -51.83 12.35 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.1 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 158' ' ' LEU . . . . . . . . . . . . . 8.0 tp -176.57 -68.89 0.01 OUTLIER 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.303 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 159' ' ' GLY . . . . . . . . . . . . . . . 91.97 157.48 33.68 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 160' ' ' ALA . . . . . . . . . . . . . . . -113.53 -52.29 2.76 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-O 120.678 0.275 . . . . 0.0 110.673 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 161' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -158.03 143.23 16.71 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.817 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 162' ' ' HIS . . . . . 0.514 ' CD2' ' NE2' ' I' ' 155' ' ' GLN . 26.1 m-70 -136.91 76.5 1.59 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.131 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' I' I ' 163' ' ' LYS . . . . . . . . . . . . . 20.2 mmtt -100.94 -12.31 19.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.653 179.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 164' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -169.02 -152.82 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.336 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 165' ' ' SER . . . . . 0.615 ' C ' ' H ' ' I' ' 167' ' ' ASP . 80.1 p -70.1 167.39 17.81 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.371 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' I' I ' 166' ' ' LEU . . . . . . . . . . . . . 1.6 tp -49.8 -2.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.613 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 167' ' ' ASP . . . . . 0.615 ' H ' ' C ' ' I' ' 165' ' ' SER . 12.2 t0 75.4 15.89 2.73 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.793 0.33 . . . . 0.0 110.531 179.703 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' I' I ' 168' ' ' LEU . . . . . . . . . . . . . 59.5 tp -65.44 -42.33 92.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.905 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 169' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? 72.59 91.17 0.09 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.872 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 170' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.359 -179.729 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 3.6 ptp . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -133.42 -51.41 0.87 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.699 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.36 -40.69 95.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.613 -179.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 50.1 mm -62.16 -47.41 93.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.685 -179.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 5' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -61.44 -45.77 92.91 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.364 179.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 12.7 mmmt -59.17 -41.77 89.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.335 -179.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.35 -34.79 73.05 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.567 178.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.35 -40.63 94.99 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.308 -179.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 54.3 t -68.16 -46.26 81.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.825 179.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -66.09 -25.48 67.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.427 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -61.52 -32.32 72.37 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.564 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . 0.418 ' N ' ' CD2' ' C' ' 12' ' ' LEU . 4.4 mm? -47.34 134.02 11.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.836 0.35 . . . . 0.0 110.692 -179.545 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 13' ' ' THR . . . . . 0.449 ' HG1' ' H ' ' C' ' 16' ' ' GLN . 63.7 p -86.33 162.76 18.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.873 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 14' ' ' GLU . . . . . 0.531 ' O ' ' ND2' ' C' ' 18' ' ' ASN . 57.8 mp0 -61.76 -39.78 92.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.581 179.738 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -63.9 -44.87 91.67 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.412 179.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 16' ' ' GLN . . . . . 0.449 ' H ' ' HG1' ' C' ' 13' ' ' THR . 0.4 OUTLIER -63.69 -42.08 98.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.029 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -64.75 -39.89 94.38 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.59 179.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 18' ' ' ASN . . . . . 0.531 ' ND2' ' O ' ' C' ' 14' ' ' GLU . 53.6 m-80 -61.6 -40.34 94.47 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 120.571 -0.452 . . . . 0.0 111.007 -179.698 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -65.18 -39.9 93.52 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.476 179.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . 0.409 ' CD1' ' C ' ' C' ' 20' ' ' PHE . 0.0 OUTLIER -64.55 -44.51 90.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.886 179.287 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 19.5 mtpp -58.77 -38.51 78.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.145 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.33 -44.4 97.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.828 0.347 . . . . 0.0 110.201 179.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.93 -39.79 94.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.454 178.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 24' ' ' PHE . . . . . 0.642 ' CE2' ' CZ ' ' C' ' 74' ' ' PHE . 53.8 t80 -61.07 -43.58 98.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.28 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -60.04 -39.67 86.72 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.116 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 97.3 mt -70.9 -43.45 76.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.622 0.249 . . . . 0.0 110.408 178.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 27' ' ' PHE . . . . . 0.482 ' C ' ' H ' ' C' ' 29' ' ' LEU . 0.2 OUTLIER -50.45 -43.61 55.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.889 0.376 . . . . 0.0 110.861 -179.608 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . 0.433 ' O ' ' N ' ' C' ' 31' ' ' ALA . 31.0 m -76.13 26.99 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.957 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 29' ' ' LEU . . . . . 0.482 ' H ' ' C ' ' C' ' 27' ' ' PHE . 0.8 OUTLIER -49.65 101.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.222 0.534 . . . . 0.0 110.642 179.707 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 100.15 -16.92 57.76 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 31' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' C' ' 28' ' ' VAL . . . -84.61 95.25 8.82 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 120.879 0.371 . . . . 0.0 110.286 179.618 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.63 -26.08 67.66 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.702 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -68.8 -21.0 64.35 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.488 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.81 13.45 83.11 Favored Glycine 0 CA--C 1.521 0.417 0 N-CA-C 110.675 -0.97 . . . . 0.0 110.675 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 35' ' ' CYS . . . . . . . . . . . . . 74.5 m -112.53 144.94 41.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.766 0.317 . . . . 0.0 110.538 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 78.8 mt -102.64 118.29 49.3 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.155 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.227 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 37' ' ' SER . . . . . 0.444 ' OG ' ' OE1' ' C' ' 40' ' ' GLU . 15.9 p -121.95 -169.96 1.97 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.451 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 76.8 p -62.94 -31.57 72.69 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.244 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 34.8 mtpt -65.72 -44.03 87.29 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.663 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 40' ' ' GLU . . . . . 0.444 ' OE1' ' OG ' ' C' ' 37' ' ' SER . 60.9 mp0 -72.15 -40.7 67.84 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.271 0.557 . . . . 0.0 110.668 179.375 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.18 -29.9 70.77 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.375 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.99 -42.29 98.28 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 57.2 mmtt -68.41 -40.37 81.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.88 0.371 . . . . 0.0 110.281 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 79.2 t -63.85 -42.5 96.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.265 179.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 16.8 mmt -61.48 -39.67 91.76 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.447 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 42.5 tpt85 -59.88 -41.08 90.79 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.017 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 60.5 ttm -60.81 -39.44 89.0 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.046 0.451 . . . . 0.0 110.255 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 96.9 mt -70.98 -14.58 62.4 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.47 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 94.0 13.69 53.99 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 94.5 mm-40 -110.97 137.25 48.83 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.969 0.414 . . . . 0.0 110.529 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -129.97 74.65 80.38 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.031 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -75.71 -169.56 0.69 Allowed 'Trans proline' 0 C--N 1.308 -1.563 0 C-N-CA 122.848 2.365 . . . . 0.0 112.067 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.57 159.01 34.76 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.075 -179.577 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -49.87 -41.17 47.96 Favored 'Trans proline' 0 N--CA 1.493 1.468 0 C-N-CA 122.392 2.062 . . . . 0.0 112.211 179.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.89 -44.1 97.58 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-O 120.731 0.301 . . . . 0.0 110.863 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.27 -39.64 92.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.398 0.618 . . . . 0.0 109.897 -178.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 95.8 mt -68.1 -36.48 79.84 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.846 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -62.92 -44.12 96.94 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.113 -178.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -72.88 -27.91 62.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.017 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 33.3 mtt -63.52 -47.01 83.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.188 179.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 92.2 mt -68.02 -42.09 85.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.696 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 62' ' ' ASP . . . . . 0.437 ' OD1' ' O ' ' C' ' 62' ' ' ASP . 61.9 t0 -60.69 -35.63 76.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.662 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -49.47 -26.56 3.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -178.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 15.7 m -118.7 -30.3 1.81 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.259 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.187 -179.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 65' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -70.9 113.6 8.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.957 0.408 . . . . 0.0 110.386 -179.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -81.43 -29.7 33.75 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.621 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 67' ' ' ASP . . . . . 0.412 ' OD2' ' OE2' ' C' ' 76' ' ' GLU . 0.8 OUTLIER -81.28 -14.81 56.99 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.918 -179.801 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 66.4 18.75 67.93 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 179.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 88.8 p -62.05 -19.01 62.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.873 0.368 . . . . 0.0 110.736 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.17 5.09 87.78 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.74 -0.944 . . . . 0.0 110.74 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 70.3 p -135.53 159.95 40.01 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 121.161 -0.216 . . . . 0.0 110.482 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 27.1 t -114.73 126.99 72.43 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.017 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 73' ' ' ASP . . . . . 0.502 ' CG ' ' H ' ' C' ' 74' ' ' PHE . 23.2 t0 -99.42 -172.59 2.29 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.678 179.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 74' ' ' PHE . . . . . 0.642 ' CZ ' ' CE2' ' C' ' 24' ' ' PHE . 71.0 m-85 -63.86 -46.7 83.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.01 -179.752 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -68.69 -42.8 77.3 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.982 0.42 . . . . 0.0 111.005 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . 0.412 ' OE2' ' OD2' ' C' ' 67' ' ' ASP . 89.3 mt-10 -63.43 -39.2 93.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.618 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -62.61 -43.48 98.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.225 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 85.9 mt -60.71 -39.03 87.06 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.461 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 78.5 t -61.7 -44.44 98.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.023 -179.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 80' ' ' MET . . . . . 0.439 ' C ' ' SD ' ' C' ' 80' ' ' MET . 19.5 tmm? -65.23 -40.09 93.61 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.239 0.542 . . . . 0.0 110.454 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 35.1 ttm -64.79 -44.07 91.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.245 -179.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 52.9 t -59.61 -44.5 93.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.352 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 83' ' ' ARG . . . . . 0.546 ' O ' ' N ' ' C' ' 87' ' ' ASP . 76.0 mtp85 -63.74 -45.81 88.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.964 0.411 . . . . 0.0 110.662 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 84' ' ' CYS . . . . . . . . . . . . . 90.7 m -65.41 -38.95 91.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.909 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 12.6 tpt -58.86 -39.66 81.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.39 -178.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -105.08 -62.43 1.34 Allowed 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.15 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 87' ' ' ASP . . . . . 0.546 ' N ' ' O ' ' C' ' 83' ' ' ARG . 61.4 m-20 -75.5 154.73 36.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.507 -179.725 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 88' ' ' ASP . . . . . 0.453 ' OD1' ' N ' ' C' ' 88' ' ' ASP . 8.2 p-10 -104.66 71.06 0.96 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.29 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 67.3 m . . . . . 0 C--N 1.326 -0.428 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.695 179.569 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' I' I ' 144' ' ' ARG . . . . . . . . . . . . . 29.6 ttp-105 . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' I' I ' 145' ' ' ARG . . . . . . . . . . . . . 28.2 mtp-105 43.7 -111.36 0.2 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.523 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 146' ' ' VAL . . . . . . . . . . . . . 34.0 m -128.53 156.92 41.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.305 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 147' ' ' ARG . . . . . . . . . . . . . 8.6 tpt85 72.72 107.18 0.07 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.717 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 148' ' ' ILE . . . . . . . . . . . . . 73.9 mt -63.74 145.16 13.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.618 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 149' ' ' SER . . . . . 0.48 ' HG ' ' H ' ' I' ' 152' ' ' ALA . 91.2 p -134.11 167.26 20.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.646 -179.572 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' I' I ' 150' ' ' ALA . . . . . . . . . . . . . . . -59.78 -39.04 83.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.199 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 151' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -63.9 -42.45 97.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.527 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 152' ' ' ALA . . . . . 0.48 ' H ' ' HG ' ' I' ' 149' ' ' SER . . . -62.26 -40.4 96.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.52 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 64.4 mtt -60.51 -45.41 93.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.661 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 154' ' ' MET . . . . . 0.546 ' O ' ' N ' ' I' ' 158' ' ' LEU . 77.7 mtm -66.07 -40.65 91.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.745 179.211 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -63.45 -43.53 97.11 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.914 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . -60.51 -43.89 96.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.608 -179.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 157' ' ' LEU . . . . . . . . . . . . . 2.8 mp -89.43 -61.14 1.76 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.538 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 158' ' ' LEU . . . . . 0.546 ' N ' ' O ' ' I' ' 154' ' ' MET . 81.5 mt -101.08 -153.5 0.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.289 179.748 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' I' I ' 159' ' ' GLY . . . . . . . . . . . . . . . 73.17 59.86 4.07 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.313 -0.715 . . . . 0.0 111.313 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 160' ' ' ALA . . . . . . . . . . . . . . . -59.86 -40.77 89.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.759 0.314 . . . . 0.0 110.426 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 161' ' ' ARG . . . . . . . . . . . . . 12.7 ptt85 -153.38 85.24 1.19 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.53 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 162' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -55.65 123.97 15.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.512 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 163' ' ' LYS . . . . . . . . . . . . . 7.1 ttpp -128.43 -9.41 5.18 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.631 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 164' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -121.95 150.35 42.15 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.367 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 165' ' ' SER . . . . . . . . . . . . . 77.0 p -99.2 60.56 1.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.679 -179.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 166' ' ' LEU . . . . . . . . . . . . . 93.8 mt 54.54 -173.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.623 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 167' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -92.46 106.94 18.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.65 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 168' ' ' LEU . . . . . . . . . . . . . 56.1 mt 53.11 18.01 1.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.452 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 169' ' ' ARG . . . . . . . . . . . . . 45.6 ttt180 63.07 29.61 16.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.545 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 170' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.427 0 CA-C-O 117.978 -1.01 . . . . 0.0 110.582 -179.955 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -123.07 -108.45 0.34 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.404 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 50.1 p-10 -65.7 -13.5 59.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.522 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.46 -36.57 75.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.374 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 5' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -55.96 -49.65 72.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.308 -179.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 17.6 ttmt -70.7 -45.26 65.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.088 0.47 . . . . 0.0 111.025 179.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.98 -26.93 68.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.586 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.75 -39.26 84.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.212 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 58.2 t -65.74 -45.94 90.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.14 179.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -73.58 -33.06 64.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.952 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -61.86 -38.07 86.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.58 -179.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 mp -39.63 143.06 0.25 Allowed 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 120.884 0.373 . . . . 0.0 110.729 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 80.8 p -74.96 164.76 26.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.952 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -61.17 -39.17 89.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.593 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -64.46 -42.28 96.04 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.436 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -62.3 -38.32 88.94 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.281 -0.418 . . . . 0.0 109.996 -179.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -68.83 -36.46 78.22 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.266 179.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -62.02 -48.73 79.0 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 120.639 -0.424 . . . . 0.0 111.374 -179.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -64.76 -37.33 87.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.815 179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -58.25 -49.28 77.65 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.698 179.333 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -60.17 -44.07 95.32 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.391 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.99 -40.2 94.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.508 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.56 -41.28 97.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.709 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 24' ' ' PHE . . . . . 0.639 ' CD1' ' CZ ' ' C' ' 74' ' ' PHE . 48.2 t80 -61.12 -43.78 98.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.403 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -60.06 -41.52 92.52 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.538 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 95.0 mt -66.57 -40.7 86.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 CA-C-O 120.978 0.418 . . . . 0.0 110.558 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -59.37 -40.43 86.45 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 28.2 m -87.09 31.94 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.019 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 29' ' ' LEU . . . . . 0.405 ' HG ' ' H ' ' C' ' 30' ' ' GLY . 2.4 pp -52.64 -38.85 61.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 30' ' ' GLY . . . . . 0.405 ' H ' ' HG ' ' C' ' 29' ' ' LEU . . . -113.63 27.35 9.37 Favored Glycine 0 C--N 1.331 0.281 0 N-CA-C 111.863 -0.495 . . . . 0.0 111.863 -178.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -119.92 102.79 8.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.856 0.36 . . . . 0.0 110.523 179.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -66.21 -37.6 85.96 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.905 179.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -66.97 -19.14 65.67 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.468 -179.282 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.64 10.6 81.27 Favored Glycine 0 CA--C 1.519 0.337 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 35' ' ' CYS . . . . . . . . . . . . . 77.3 m -109.14 150.56 27.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.702 0.287 . . . . 0.0 110.584 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 92.9 mt -96.9 120.14 45.86 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.343 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 77.9 p -122.91 -168.09 1.7 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.516 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 61.4 p -61.99 -39.2 91.4 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.277 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -64.37 -43.58 94.07 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.737 179.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -66.77 -41.32 87.89 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 120.96 0.409 . . . . 0.0 110.561 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 11.9 mt -67.63 -37.5 82.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.708 179.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.64 -41.25 97.29 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 110.637 -0.985 . . . . 0.0 110.637 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.2 -40.15 86.42 Favored 'General case' 0 N--CA 1.44 -0.95 0 C-N-CA 120.701 -0.399 . . . . 0.0 110.333 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 58.9 t -64.25 -42.39 95.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.347 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 18.1 mmt -60.18 -34.62 73.85 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.364 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 51.1 ttm-85 -54.11 -37.29 64.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.763 -179.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 99.1 mtp -63.81 -39.08 93.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.065 0.459 . . . . 0.0 110.528 179.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 99.5 mt -67.45 -27.87 67.4 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.473 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.84 25.98 6.96 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -120.2 141.44 49.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.811 0.339 . . . . 0.0 110.719 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 -132.01 69.64 80.69 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.275 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -75.33 -167.41 0.43 Allowed 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 123.083 2.522 . . . . 0.0 112.206 -179.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 16.6 p -106.33 152.83 40.66 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.811 -179.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -60.5 -31.37 92.36 Favored 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.355 2.037 . . . . 0.0 112.219 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -64.0 -41.24 97.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.157 0.504 . . . . 0.0 110.026 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -66.22 -41.58 89.89 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.108 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 63.7 mt -64.88 -37.91 89.2 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.292 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -60.92 -44.62 96.94 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.499 -179.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -67.53 -37.85 83.37 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.52 179.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 28.4 ttt -59.7 -45.26 92.67 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.332 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 61' ' ' ILE . . . . . 0.459 ' O ' ' N ' ' C' ' 65' ' ' ASP . 96.0 mt -63.85 -41.47 92.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.466 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -59.44 -41.95 90.78 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.759 -179.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -66.36 -42.23 88.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.842 0.353 . . . . 0.0 110.345 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 96.7 t -77.48 -32.64 18.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.789 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 65' ' ' ASP . . . . . 0.545 ' OD2' ' N ' ' C' ' 69' ' ' SER . 59.5 t0 -83.93 111.41 19.22 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.514 -179.542 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -65.69 -37.9 87.74 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.616 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.64 -11.43 51.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 -179.488 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.76 20.15 73.94 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 69' ' ' SER . . . . . 0.545 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 41.1 m -49.66 -27.71 5.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.828 0.347 . . . . 0.0 110.268 -179.518 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 96.82 -7.12 64.99 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 66.2 p -140.39 163.27 33.24 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.704 0.288 . . . . 0.0 110.612 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 56.0 t -111.24 123.21 66.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.531 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -96.63 -170.58 2.09 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.686 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 74' ' ' PHE . . . . . 0.639 ' CZ ' ' CD1' ' C' ' 24' ' ' PHE . 64.7 m-85 -60.5 -49.92 75.61 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.125 -179.673 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -63.36 -45.18 92.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.128 0.489 . . . . 0.0 110.867 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -64.43 -36.35 83.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.566 178.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -58.53 -47.05 85.45 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 87.7 mt -62.32 -38.34 89.07 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.339 -0.544 . . . . 0.0 110.546 179.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 78.9 t -64.62 -42.25 94.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.823 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 2.0 ptt? -62.79 -30.81 71.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.982 -178.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 1.9 mtp -68.16 -53.42 25.25 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.447 -179.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 74.7 t -66.41 -42.96 91.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.652 179.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -62.05 -40.63 96.39 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.667 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 84' ' ' CYS . . . . . 0.406 ' O ' ' OD1' ' C' ' 88' ' ' ASP . 42.9 t -57.31 -46.7 82.93 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.209 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 82.6 mmm -63.07 -41.91 99.56 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.443 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -68.39 -39.86 81.56 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.648 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 87' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -59.49 -38.78 81.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.646 -178.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 88' ' ' ASP . . . . . 0.422 ' OD1' ' O ' ' C' ' 88' ' ' ASP . 58.3 p30 -120.27 72.37 0.94 Allowed 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.881 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 15.9 t . . . . . 0 C--N 1.326 -0.441 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.609 179.641 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' I' I ' 144' ' ' ARG . . . . . . . . . . . . . 87.9 mtm180 . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' I' I ' 145' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -64.54 -18.2 64.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.801 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 146' ' ' VAL . . . . . . . . . . . . . 30.0 m -71.78 -17.81 19.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.766 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 147' ' ' ARG . . . . . . . . . . . . . 54.2 ttt180 -77.52 123.07 26.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.326 -179.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 148' ' ' ILE . . . . . . . . . . . . . 36.6 mt -126.7 -62.65 1.23 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.955 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 149' ' ' SER . . . . . 0.405 ' OG ' ' OD2' ' C' ' 88' ' ' ASP . 29.6 t 50.74 -157.78 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.284 -179.739 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' I' I ' 150' ' ' ALA . . . . . 0.402 ' N ' ' OG ' ' I' ' 149' ' ' SER . . . -92.85 -16.01 25.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.428 179.713 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' I' I ' 151' ' ' ASP . . . . . 0.458 ' OD1' ' NE2' ' I' ' 155' ' ' GLN . 64.9 t0 -60.99 -47.99 83.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.759 -179.526 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . -61.72 -41.54 97.76 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.564 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 72.8 mtp -67.35 -40.14 85.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.26 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 154' ' ' MET . . . . . . . . . . . . . 8.4 mmt -63.34 -41.81 98.9 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.787 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 155' ' ' GLN . . . . . 0.458 ' NE2' ' OD1' ' I' ' 151' ' ' ASP . 74.0 mt-30 -63.15 -39.56 95.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.419 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . -61.43 -38.78 88.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.475 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 157' ' ' LEU . . . . . . . . . . . . . 95.7 mt -89.28 117.16 28.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.724 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 158' ' ' LEU . . . . . . . . . . . . . 1.4 pp -63.28 -11.42 21.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.537 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 159' ' ' GLY . . . . . . . . . . . . . . . -60.51 -39.54 96.52 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 160' ' ' ALA . . . . . . . . . . . . . . . -93.07 161.32 14.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.741 0.305 . . . . 0.0 110.534 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 161' ' ' ARG . . . . . . . . . . . . . 20.0 ptp180 -128.76 155.29 45.36 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.414 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 162' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -136.24 119.97 17.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.668 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 163' ' ' LYS . . . . . . . . . . . . . 51.3 mttp -107.11 -30.1 8.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.686 179.254 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 164' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -151.8 -49.69 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.538 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 165' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 173.85 169.93 0.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.587 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' I' I ' 166' ' ' LEU . . . . . . . . . . . . . 86.4 mt -87.2 64.24 8.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.521 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 167' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -132.67 -179.48 5.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.625 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 168' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 51.08 81.99 0.06 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.456 179.739 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' I' I ' 169' ' ' ARG . . . . . . . . . . . . . 18.2 mmt85 55.92 46.65 21.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.488 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 170' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 118.079 -0.962 . . . . 0.0 110.705 -179.968 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 83.0 mtp . . . . . 0 N--CA 1.489 1.508 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -79.88 -29.84 40.04 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -61.49 -45.73 93.01 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.893 -179.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 16.0 tt -74.14 -32.07 31.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.339 179.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 5' ' ' TYR . . . . . 0.45 ' OH ' ' O ' ' C' ' 79' ' ' VAL . 10.9 t80 -61.26 -50.18 74.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.933 0.397 . . . . 0.0 110.54 -179.23 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -64.1 -42.58 96.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.046 0.45 . . . . 0.0 110.101 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.49 -36.22 83.03 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.33 179.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.7 -43.6 97.57 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.259 -179.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 53.1 t -63.63 -47.48 91.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.865 179.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -67.06 -29.09 68.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.536 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 9.6 tp-100 -61.81 -27.5 68.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.521 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 95.7 mt -55.16 133.66 49.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.117 0.484 . . . . 0.0 110.711 -179.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 82.1 p -80.48 166.99 20.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.65 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 43.5 mp0 -62.93 -39.24 93.98 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.389 -179.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -67.92 -41.29 82.85 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.875 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 26.6 mm100 -63.52 -40.79 97.96 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.138 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 19.3 mtpp -63.91 -39.78 94.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.515 179.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -63.35 -39.9 95.8 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.057 -0.657 . . . . 0.0 111.109 179.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -61.86 -40.17 94.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.596 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . 0.559 ' CZ ' ' CZ ' ' C' ' 74' ' ' PHE . 0.0 OUTLIER -74.24 -41.03 61.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.806 179.56 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.46 -42.54 70.75 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.285 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.01 -40.91 95.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.008 0.432 . . . . 0.0 110.049 179.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.45 -39.76 94.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.355 179.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -58.9 -46.99 86.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.231 -179.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 25' ' ' ASP . . . . . 0.412 ' O ' ' CG2' ' C' ' 28' ' ' VAL . 96.7 m-20 -62.21 -35.0 77.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.095 179.607 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 94.5 mt -75.84 -37.84 35.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.827 179.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 27' ' ' PHE . . . . . 0.472 ' C ' ' H ' ' C' ' 29' ' ' LEU . 1.4 m-85 -59.56 -37.42 78.39 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.41 -179.567 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . 0.412 ' CG2' ' O ' ' C' ' 25' ' ' ASP . 26.4 m -72.06 13.96 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.994 -179.269 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 29' ' ' LEU . . . . . 0.472 ' H ' ' C ' ' C' ' 27' ' ' PHE . 2.8 pp -50.47 -38.86 46.1 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.724 179.582 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . -85.35 -1.46 88.06 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 -179.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 31' ' ' ALA . . . . . 0.439 ' CB ' ' O ' ' C' ' 35' ' ' CYS . . . -128.39 102.36 6.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.92 0.39 . . . . 0.0 110.35 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 25.6 pt-20 -65.44 -19.83 66.1 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.271 0.558 . . . . 0.0 110.981 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.21 -15.74 63.7 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.679 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.73 12.65 71.53 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 35' ' ' CYS . . . . . 0.439 ' O ' ' CB ' ' C' ' 31' ' ' ALA . 72.8 m -125.79 153.6 43.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.863 0.363 . . . . 0.0 110.729 179.774 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 96.8 mt -94.87 127.14 47.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.625 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 94.2 p -142.12 -169.27 2.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.465 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 59.3 p -59.28 -36.74 76.12 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.288 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -62.95 -43.69 98.11 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.687 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -68.33 -41.31 80.99 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.308 0.575 . . . . 0.0 110.731 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.39 -28.12 69.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.2 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.87 -39.87 97.49 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.715 -0.954 . . . . 0.0 110.715 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.44 -41.15 69.83 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-O 121.012 0.434 . . . . 0.0 110.41 179.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 74.7 t -63.56 -45.73 96.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.667 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 8.0 mmt -62.25 -40.67 96.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.83 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -60.96 -41.37 96.23 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.502 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 28.2 ttt -60.2 -39.98 88.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.681 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 96.7 mt -73.46 -6.87 49.13 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.577 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 91.37 11.45 60.99 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -97.39 142.96 28.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.988 0.423 . . . . 0.0 110.503 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -130.34 67.99 80.7 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.569 179.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -74.5 -169.04 0.54 Allowed 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.796 2.331 . . . . 0.0 111.928 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.37 158.03 75.6 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.454 -179.633 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -49.59 -25.4 10.91 Favored 'Trans proline' 0 N--CA 1.492 1.388 0 C-N-CA 122.084 1.856 . . . . 0.0 112.477 179.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -65.56 -51.65 58.24 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.112 0.482 . . . . 0.0 111.365 -178.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.68 -33.44 53.27 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.947 -179.068 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 54.5 mt -64.66 -42.95 95.04 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.063 0.459 . . . . 0.0 110.576 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 58' ' ' GLN . . . . . 0.45 HE22 ' CA ' ' C' ' 70' ' ' GLY . 71.9 tp60 -66.91 -44.23 81.3 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.588 179.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -62.85 -37.37 86.57 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.711 -179.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 60.4 ttm -60.54 -48.12 83.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.338 0.589 . . . . 0.0 110.525 -179.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 95.3 mt -62.99 -38.85 83.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.335 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 62' ' ' ASP . . . . . 0.441 ' OD2' ' O ' ' C' ' 58' ' ' GLN . 3.7 m-20 -57.89 -41.06 81.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.523 -179.561 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -63.44 -39.82 95.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.919 0.39 . . . . 0.0 110.025 179.277 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 67.5 t -77.07 -32.05 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.51 179.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 65' ' ' ASP . . . . . 0.458 ' OD2' ' O ' ' C' ' 71' ' ' THR . 91.7 m-20 -87.78 120.5 29.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.92 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -68.62 -39.38 80.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.477 179.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 57.0 p30 -82.86 -10.77 58.68 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.994 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 67.0 24.02 72.99 Favored Glycine 0 CA--C 1.52 0.398 0 N-CA-C 110.5 -1.04 . . . . 0.0 110.5 179.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 89.7 p -57.89 -31.21 66.51 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.63 -179.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 70' ' ' GLY . . . . . 0.45 ' CA ' HE22 ' C' ' 58' ' ' GLN . . . 102.29 -1.29 50.38 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 71' ' ' THR . . . . . 0.458 ' O ' ' OD2' ' C' ' 65' ' ' ASP . 38.5 p -130.7 154.95 47.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.707 0.289 . . . . 0.0 110.321 179.68 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 54.2 t -103.65 126.11 58.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.232 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.2 177.75 6.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.634 -179.47 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 74' ' ' PHE . . . . . 0.559 ' CZ ' ' CZ ' ' C' ' 20' ' ' PHE . 16.5 t80 -60.77 -49.62 76.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.558 -178.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -66.15 -40.21 90.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.615 179.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -63.5 -39.33 94.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.327 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -62.6 -42.08 99.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.953 -179.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 78.0 mt -61.73 -39.34 91.21 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.831 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 79' ' ' VAL . . . . . 0.45 ' O ' ' OH ' ' C' ' 5' ' ' TYR . 61.2 t -63.27 -39.61 85.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.279 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -66.67 -35.62 80.58 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.001 0.429 . . . . 0.0 109.929 -178.699 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 68.4 mtp -65.68 -42.82 90.84 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.265 -179.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 72.8 t -65.53 -41.0 89.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.853 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 83' ' ' ARG . . . . . 0.567 ' O ' ' N ' ' C' ' 87' ' ' ASP . 12.7 mtp85 -56.03 -47.61 77.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.648 179.738 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 84' ' ' CYS . . . . . . . . . . . . . 95.6 m -61.59 -39.76 92.38 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.195 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 7.9 mmt -72.2 -41.5 66.89 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.075 -0.511 . . . . 0.0 112.122 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 16.2 mmtp -93.65 -6.93 45.28 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.828 0.347 . . . . 0.0 111.39 -179.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 87' ' ' ASP . . . . . 0.567 ' N ' ' O ' ' C' ' 83' ' ' ARG . 22.7 t0 -147.43 137.93 23.32 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.373 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -94.88 72.33 3.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.402 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.324 -0.521 0 CA-C-O 118.207 -0.902 . . . . 0.0 110.729 179.697 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' I' I ' 144' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' I' I ' 145' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -87.22 128.68 35.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.613 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 146' ' ' VAL . . . . . . . . . . . . . 57.6 t -100.9 -58.26 4.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.408 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 147' ' ' ARG . . . . . 0.551 ' O ' ' N ' ' I' ' 149' ' ' SER . 77.1 mtp85 -141.73 124.43 15.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.329 179.445 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' I' I ' 148' ' ' ILE . . . . . 0.497 ' CG1' ' O ' ' I' ' 148' ' ' ILE . 1.7 tt 26.2 40.66 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 O-C-N 123.929 0.768 . . . . 0.0 111.062 179.636 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' I' I ' 149' ' ' SER . . . . . 0.551 ' N ' ' O ' ' I' ' 147' ' ' ARG . 15.2 m 46.56 73.77 0.17 Allowed 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.856 -179.237 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' I' I ' 150' ' ' ALA . . . . . . . . . . . . . . . -58.47 -37.95 76.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.515 -179.224 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 151' ' ' ASP . . . . . 0.481 ' OD1' ' N ' ' I' ' 152' ' ' ALA . 59.1 p30 -59.4 -15.97 20.25 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.0 0.428 . . . . 0.0 110.511 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' I' I ' 152' ' ' ALA . . . . . 0.481 ' N ' ' OD1' ' I' ' 151' ' ' ASP . . . -61.59 -38.27 86.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.665 179.573 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.67 -48.88 78.27 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.912 -179.516 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' I' I ' 154' ' ' MET . . . . . 0.48 ' O ' ' O ' ' I' ' 157' ' ' LEU . 17.9 mmt -63.59 -39.75 95.19 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.908 179.236 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -64.48 -39.99 94.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.866 0.365 . . . . 0.0 110.897 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . -61.43 -41.13 96.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.811 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 157' ' ' LEU . . . . . 0.48 ' O ' ' O ' ' I' ' 154' ' ' MET . 1.4 pp -108.86 -174.68 2.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.265 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' I' I ' 158' ' ' LEU . . . . . . . . . . . . . 2.3 mp -120.23 118.81 31.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.509 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 159' ' ' GLY . . . . . . . . . . . . . . . -140.94 -99.75 0.39 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 160' ' ' ALA . . . . . . . . . . . . . . . -74.13 1.98 9.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.807 0.337 . . . . 0.0 110.543 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 161' ' ' ARG . . . . . . . . . . . . . 3.6 tpp180 55.16 16.61 1.66 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.415 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 162' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 56.34 34.32 23.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.317 0.58 . . . . 0.0 110.586 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' I' I ' 163' ' ' LYS . . . . . 0.521 ' O ' ' N ' ' I' ' 165' ' ' SER . 54.1 mttp -47.63 109.7 0.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.045 0.45 . . . . 0.0 110.486 179.473 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' I' I ' 164' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 58.45 -78.21 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.464 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 165' ' ' SER . . . . . 0.521 ' N ' ' O ' ' I' ' 163' ' ' LYS . 50.6 m -156.2 77.64 0.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.441 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' I' I ' 166' ' ' LEU . . . . . . . . . . . . . 95.7 mt 43.68 -128.58 0.85 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.539 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 167' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -104.61 138.78 40.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.544 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 168' ' ' LEU . . . . . . . . . . . . . 41.6 mt -89.8 0.75 56.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.704 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 169' ' ' ARG . . . . . . . . . . . . . 80.1 mtm180 53.99 42.61 31.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.376 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 170' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.653 -179.851 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 66.9 ttp . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -55.89 -13.44 1.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.454 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -60.5 -39.34 87.39 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.52 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 51.2 mm -63.93 -41.0 91.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.739 -179.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 5' ' ' TYR . . . . . 0.444 ' OH ' ' O ' ' C' ' 79' ' ' VAL . 9.5 t80 -64.39 -45.8 86.11 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 -179.198 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 47.8 mmtt -62.63 -41.46 99.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.09 0.472 . . . . 0.0 110.795 179.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' C' ' 11' ' ' GLN . . . -62.04 -38.28 88.09 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.953 179.333 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.45 -40.09 93.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.199 0.523 . . . . 0.0 110.772 -179.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 54.2 t -68.3 -32.4 55.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.025 179.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -90.2 -27.46 19.52 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.099 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 11' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' C' ' 7' ' ' ALA . 34.5 mt-30 -67.64 -39.67 84.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.971 179.269 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . 0.413 ' O ' ' O ' ' C' ' 11' ' ' GLN . 0.7 OUTLIER -46.34 172.26 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.539 0 CA-C-O 121.138 0.494 . . . . 0.0 111.011 -179.402 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 30.8 p -106.82 171.87 7.13 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.5 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.38 -35.07 78.02 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.079 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -61.62 -43.61 98.55 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.51 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -66.08 -39.06 89.73 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.421 0.629 . . . . 0.0 109.895 179.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.72 -27.51 61.23 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.079 179.082 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -69.02 -50.43 48.75 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 120.427 -0.509 . . . . 0.0 111.733 -179.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -64.97 -40.04 94.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.11 0.481 . . . . 0.0 110.151 -179.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . 0.59 ' CD1' ' N ' ' C' ' 21' ' ' LYS . 0.1 OUTLIER -60.37 -48.87 79.87 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.373 179.368 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 21' ' ' LYS . . . . . 0.59 ' N ' ' CD1' ' C' ' 20' ' ' PHE . 63.3 tttm -61.02 -43.54 98.74 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.481 179.759 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.44 -42.57 98.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.743 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.74 -39.83 95.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.671 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -60.33 -44.86 95.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.37 -179.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.15 -41.28 96.47 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.856 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 97.2 mt -68.86 -40.43 81.23 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.305 0 CA-C-O 121.117 0.484 . . . . 0.0 110.696 179.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -59.54 -38.32 80.75 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.087 -179.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 23.1 m -92.43 32.28 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.047 -179.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 2.7 pp -60.92 -35.95 78.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.771 179.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . -98.1 -3.73 57.79 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 111.282 -0.727 . . . . 0.0 111.282 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 31' ' ' ALA . . . . . 0.452 ' CB ' ' O ' ' C' ' 35' ' ' CYS . . . -105.89 106.97 17.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.775 0.322 . . . . 0.0 110.34 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -69.86 -32.1 70.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.239 0.542 . . . . 0.0 110.951 -179.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -69.26 -19.74 63.93 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.724 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.09 4.71 64.54 Favored Glycine 0 CA--C 1.521 0.441 0 N-CA-C 110.692 -0.963 . . . . 0.0 110.692 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 35' ' ' CYS . . . . . 0.452 ' O ' ' CB ' ' C' ' 31' ' ' ALA . 19.7 p -93.19 159.18 15.39 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 121.098 -0.241 . . . . 0.0 110.437 179.624 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 73.0 mt -115.76 123.43 71.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 N-CA-C 109.975 -0.379 . . . . 0.0 109.975 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 37' ' ' SER . . . . . 0.435 ' OG ' ' OE1' ' C' ' 40' ' ' GLU . 40.5 p -116.42 -172.05 2.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.18 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 68.8 p -64.85 -25.13 67.77 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.283 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -70.94 -47.79 57.05 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 40' ' ' GLU . . . . . 0.435 ' OE1' ' OG ' ' C' ' 37' ' ' SER . 25.4 mp0 -65.31 -38.94 91.72 Favored 'General case' 0 CA--C 1.522 -0.118 0 CA-C-O 120.784 0.326 . . . . 0.0 110.857 179.663 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 14.8 mt -64.03 -12.04 34.83 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.911 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.83 -37.94 93.26 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 43' ' ' LYS . . . . . 0.46 ' N ' ' CD ' ' C' ' 43' ' ' LYS . 2.6 mptp? -65.58 -38.06 88.42 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.958 0.409 . . . . 0.0 110.471 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 72.1 t -62.12 -46.27 96.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.729 -179.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 24.8 mmt -63.31 -39.1 93.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.738 -179.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 56.3 ttp180 -59.5 -42.23 91.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.077 0.465 . . . . 0.0 110.074 -179.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 25.2 mmt -63.97 -37.13 86.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.468 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 91.9 mt -78.29 -3.02 40.83 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.571 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.16 25.85 67.74 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -115.03 142.72 46.25 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 121.03 0.443 . . . . 0.0 110.541 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 21.2 p30 -135.65 68.97 66.64 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 115.778 -0.647 . . . . 0.0 111.039 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -75.41 -168.48 0.53 Allowed 'Trans proline' 0 C--N 1.306 -1.705 0 C-N-CA 122.946 2.431 . . . . 0.0 112.026 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 2.5 p -105.15 156.04 36.79 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.377 -179.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -52.18 -36.89 68.6 Favored 'Trans proline' 0 N--CA 1.497 1.69 0 C-N-CA 122.118 1.879 . . . . 0.0 112.229 179.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -64.41 -39.77 94.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.291 0.567 . . . . 0.0 110.579 -179.188 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -65.45 -41.26 93.62 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.377 -179.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 11.7 mt -61.82 -39.36 91.51 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.701 179.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 71.2 tp60 -63.92 -41.87 97.54 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.545 -179.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -65.24 -38.52 90.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.774 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 22.2 mmt -61.15 -42.57 98.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.679 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 61' ' ' ILE . . . . . 0.502 ' O ' ' N ' ' C' ' 65' ' ' ASP . 96.2 mt -65.9 -40.3 87.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.647 179.51 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 60.9 t0 -59.66 -44.93 93.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.072 -179.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -63.99 -40.71 96.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.816 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 93.9 t -81.16 -32.28 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 65' ' ' ASP . . . . . 0.517 ' OD2' ' N ' ' C' ' 69' ' ' SER . 68.0 t0 -76.62 118.28 19.1 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.981 -179.557 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -67.18 -40.97 86.63 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.94 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 67' ' ' ASP . . . . . 0.438 ' OD1' ' OD2' ' C' ' 65' ' ' ASP . 2.3 p30 -82.79 -12.74 57.26 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.082 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 66.11 22.8 70.98 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 110.625 -0.99 . . . . 0.0 110.625 179.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 69' ' ' SER . . . . . 0.517 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 90.7 p -60.51 -22.09 63.19 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.743 0.306 . . . . 0.0 110.807 -179.52 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 93.72 -9.22 73.71 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 72.3 p -130.45 159.92 35.61 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 48.4 t -111.66 124.5 68.48 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-O 121.016 0.436 . . . . 0.0 110.137 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -91.81 -178.76 5.13 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.663 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -59.17 -50.27 74.66 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.428 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 75' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' C' ' 76' ' ' GLU . 43.1 p-10 -68.61 -39.16 80.97 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.741 179.699 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . 0.532 ' N ' ' OD1' ' C' ' 75' ' ' ASP . 98.3 mt-10 -64.67 -39.21 93.29 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.962 0.41 . . . . 0.0 110.551 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -62.81 -41.47 99.31 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -179.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 11.4 tp -62.56 -38.32 89.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.014 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 79' ' ' VAL . . . . . 0.444 ' O ' ' OH ' ' C' ' 5' ' ' TYR . 87.1 t -65.01 -39.82 86.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.627 -179.491 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 16.4 tmm? -63.78 -39.98 95.56 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.639 -179.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 17.3 ttt -61.7 -50.46 72.36 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.506 -179.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 66.0 t -67.94 -41.69 84.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.696 179.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 38.6 ttt85 -60.46 -42.09 95.5 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-O 120.903 0.382 . . . . 0.0 110.436 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 84' ' ' CYS . . . . . . . . . . . . . 52.6 t -60.49 -44.56 95.83 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.392 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 3.3 mmt -63.36 -60.54 3.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.329 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.91 -9.13 18.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.681 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 87' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -42.94 130.23 4.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.365 -179.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -120.08 73.68 0.99 Allowed 'General case' 0 C--O 1.232 0.132 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.5 -179.666 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 5.0 t . . . . . 0 C--N 1.323 -0.544 0 CA-C-O 118.039 -0.982 . . . . 0.0 110.823 179.737 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' I' I ' 144' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' I' I ' 145' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 58.19 74.12 0.44 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.69 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 146' ' ' VAL . . . . . . . . . . . . . 11.4 p -142.43 136.85 28.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.537 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 147' ' ' ARG . . . . . 0.437 ' O ' ' O ' ' I' ' 148' ' ' ILE . 72.6 mmt-85 51.82 74.05 0.28 Allowed 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.845 179.509 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' I' I ' 148' ' ' ILE . . . . . 0.437 ' O ' ' O ' ' I' ' 147' ' ' ARG . 93.4 mt 58.43 147.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.462 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' I' I ' 149' ' ' SER . . . . . . . . . . . . . 35.2 p -156.93 -118.86 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.482 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 150' ' ' ALA . . . . . . . . . . . . . . . -130.74 -46.04 1.05 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.637 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 151' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -63.07 -38.41 91.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.406 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . -61.34 -41.49 97.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.768 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 66.1 mtt -63.27 -41.01 98.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.846 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 154' ' ' MET . . . . . . . . . . . . . 37.5 mmt -63.46 -41.64 98.62 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.33 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -64.75 -40.77 95.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.988 0.423 . . . . 0.0 110.552 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . -61.84 -37.84 85.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.487 179.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 157' ' ' LEU . . . . . 0.473 ' O ' ' CB ' ' I' ' 158' ' ' LEU . 20.0 mt -71.85 0.82 8.16 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.67 -179.405 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' I' I ' 158' ' ' LEU . . . . . 0.473 ' CB ' ' O ' ' I' ' 157' ' ' LEU . 2.1 tp 80.6 -67.04 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.22 179.668 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' I' I ' 159' ' ' GLY . . . . . . . . . . . . . . . 56.16 -130.11 48.83 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 160' ' ' ALA . . . . . . . . . . . . . . . -98.94 -156.92 0.57 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.765 0.317 . . . . 0.0 110.494 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 161' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -76.16 -16.55 59.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.568 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 162' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 56.25 19.27 3.79 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.691 -179.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 163' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -62.94 -44.23 96.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.749 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 164' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -102.14 -1.81 30.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.763 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 165' ' ' SER . . . . . 0.51 ' HG ' ' H ' ' I' ' 166' ' ' LEU . 1.4 t 69.67 -157.81 0.16 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.379 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' I' I ' 166' ' ' LEU . . . . . 0.51 ' H ' ' HG ' ' I' ' 165' ' ' SER . 0.3 OUTLIER -80.48 -45.86 16.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.743 -179.741 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' I' I ' 167' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -161.4 -47.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.573 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 168' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -152.33 -173.87 4.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.665 -179.671 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' I' I ' 169' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -49.03 129.8 17.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.541 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 170' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 118.071 -0.966 . . . . 0.0 110.519 -179.95 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 1' ' ' MET . . . . . 0.44 ' H2 ' ' H ' ' C' ' 2' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 2' ' ' ASP . . . . . 0.44 ' H ' ' H2 ' ' C' ' 1' ' ' MET . 10.7 m-20 -61.55 -40.47 94.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.531 -179.681 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -62.52 -42.32 99.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.348 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 48.6 mm -65.11 -41.95 93.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.48 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 5' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -59.02 -49.8 76.5 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.794 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -61.52 -47.33 86.07 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.365 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' C' ' 11' ' ' GLN . . . -65.03 -37.92 89.19 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.723 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.95 -44.59 95.65 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.835 -179.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 77.4 t -70.3 -42.35 78.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.277 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -81.78 -17.04 49.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.691 -179.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 11' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' C' ' 7' ' ' ALA . 4.1 tt0 -128.09 33.13 4.79 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.958 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . 0.568 ' N ' ' CD2' ' C' ' 12' ' ' LEU . 0.5 OUTLIER -63.45 172.89 1.8 Allowed 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 121.124 0.488 . . . . 0.0 110.889 179.31 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 60.0 p -88.72 159.15 17.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.103 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -68.95 -32.17 71.57 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.511 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -64.57 -40.58 95.8 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.887 179.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -64.22 -39.74 94.61 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.993 178.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -60.81 -40.62 93.43 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.789 179.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -66.13 -45.95 79.25 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 119.993 -0.683 . . . . 0.0 110.503 -179.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -65.3 -40.4 93.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.552 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . 0.46 ' CG ' ' N ' ' C' ' 21' ' ' LYS . 0.0 OUTLIER -58.43 -51.67 68.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.958 179.74 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' C' C ' 21' ' ' LYS . . . . . 0.46 ' N ' ' CG ' ' C' ' 20' ' ' PHE . 0.8 OUTLIER -62.41 -42.58 99.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.379 -179.863 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.9 -42.92 99.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.991 0.424 . . . . 0.0 110.919 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.62 -40.17 96.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.613 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 24' ' ' PHE . . . . . 0.622 ' CE1' ' CZ ' ' C' ' 74' ' ' PHE . 32.7 t80 -61.69 -41.04 97.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.035 -179.553 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -62.85 -41.42 99.36 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.738 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 97.9 mt -65.74 -44.06 93.31 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 CA-C-O 120.985 0.422 . . . . 0.0 110.726 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -60.55 -42.13 95.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.079 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . 0.626 ' O ' ' N ' ' C' ' 30' ' ' GLY . 25.2 m -91.38 33.47 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.222 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -37.79 83.55 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 O-C-N 123.694 0.621 . . . . 0.0 111.245 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 30' ' ' GLY . . . . . 0.626 ' N ' ' O ' ' C' ' 28' ' ' VAL . . . 56.35 31.81 60.0 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.598 -1.001 . . . . 0.0 110.598 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.52 131.36 45.94 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.596 -179.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -66.28 -29.2 69.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.86 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -85.43 -20.71 29.4 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.889 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 77.23 9.54 86.74 Favored Glycine 0 CA--C 1.521 0.417 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 35' ' ' CYS . . . . . . . . . . . . . 66.8 m -139.95 169.87 16.9 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.811 0.339 . . . . 0.0 110.95 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 4.8 mp -96.3 117.25 40.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.43 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 37' ' ' SER . . . . . 0.471 ' OG ' ' OE1' ' C' ' 40' ' ' GLU . 3.7 p -127.73 -168.83 1.95 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.018 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 82.7 p -65.54 -25.34 67.39 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.486 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -76.73 -48.17 19.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.029 0.443 . . . . 0.0 110.522 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 40' ' ' GLU . . . . . 0.471 ' OE1' ' OG ' ' C' ' 37' ' ' SER . 61.1 mp0 -63.43 -42.94 98.71 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.279 0.562 . . . . 0.0 110.369 -179.344 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 92.7 mt -65.81 -36.04 82.4 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.295 179.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.38 -40.48 96.1 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -66.53 -40.75 89.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.021 0.439 . . . . 0.0 110.376 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 64.9 t -67.45 -42.66 87.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.777 179.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 20.0 mmt -59.96 -36.06 76.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.86 -179.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -53.68 -38.64 64.38 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.045 -179.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 73.4 mtm -72.3 -20.78 61.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.97 0.414 . . . . 0.0 110.647 179.445 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 91.4 mt -86.06 -3.2 58.89 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.477 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.59 16.82 72.37 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -116.04 134.56 54.83 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.042 0.448 . . . . 0.0 110.365 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 -132.43 70.12 79.81 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.557 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -75.49 -170.55 0.83 Allowed 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.868 2.379 . . . . 0.0 112.04 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 16.0 p -111.52 151.47 43.31 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.951 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -45.78 -35.37 13.38 Favored 'Trans proline' 0 C--N 1.314 -1.285 0 C-N-CA 122.29 1.993 . . . . 0.0 112.254 179.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -64.59 -42.6 95.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.12 0.486 . . . . 0.0 110.398 -179.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -69.56 -41.26 76.1 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.402 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.5 -37.92 89.23 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.196 179.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 23.1 tm0? -61.92 -42.95 99.69 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.668 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -63.72 -40.89 97.89 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.478 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 89.9 mmm -61.01 -44.03 98.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.917 0.389 . . . . 0.0 110.321 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 96.1 mt -65.48 -45.86 91.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.518 179.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -57.2 -33.74 67.8 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.897 -179.095 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -60.18 -39.48 86.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 10.7 m -104.97 6.38 10.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.976 -179.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 65' ' ' ASP . . . . . 0.534 ' OD2' ' N ' ' C' ' 69' ' ' SER . 51.1 t0 -84.94 132.89 34.3 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.769 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -85.43 -34.33 21.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.041 179.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 67' ' ' ASP . . . . . 0.472 ' OD1' ' OD1' ' C' ' 65' ' ' ASP . 59.2 p30 -102.81 -9.94 19.53 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.224 -179.791 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 68' ' ' GLY . . . . . 0.466 ' H ' ' CG ' ' C' ' 65' ' ' ASP . . . 70.46 17.29 74.39 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.473 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 69' ' ' SER . . . . . 0.534 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 98.4 p -62.62 -19.09 63.43 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.669 0.271 . . . . 0.0 110.735 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 94.87 5.26 61.23 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 110.859 -0.897 . . . . 0.0 110.859 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 79.1 p -133.39 161.79 33.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.506 0.194 . . . . 0.0 110.599 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 56.0 t -112.09 122.14 65.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.921 0.391 . . . . 0.0 110.153 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 73' ' ' ASP . . . . . 0.509 ' CG ' ' H ' ' C' ' 74' ' ' PHE . 43.5 t0 -90.18 -178.17 5.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.795 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 74' ' ' PHE . . . . . 0.622 ' CZ ' ' CE1' ' C' ' 24' ' ' PHE . 8.3 m-85 -59.43 -51.52 69.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.494 -179.706 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 75' ' ' ASP . . . . . 0.544 ' OD1' ' N ' ' C' ' 76' ' ' GLU . 42.9 p-10 -65.32 -40.77 94.17 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.232 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . 0.544 ' N ' ' OD1' ' C' ' 75' ' ' ASP . 98.8 mt-10 -64.25 -39.4 93.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.231 179.625 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -62.65 -43.08 99.72 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.151 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 27.0 tp -62.72 -39.94 95.61 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.449 -179.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 68.5 t -63.09 -46.99 94.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.299 -179.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 80' ' ' MET . . . . . 0.442 ' C ' ' SD ' ' C' ' 80' ' ' MET . 0.0 OUTLIER -70.7 -23.88 62.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.006 0.431 . . . . 0.0 110.258 -179.346 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' C' C ' 81' ' ' MET . . . . . 0.5 ' O ' ' SG ' ' C' ' 84' ' ' CYS . 14.9 tpt -66.61 -52.43 45.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.601 -179.513 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 76.3 t -70.94 -42.0 77.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.623 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 49.9 ttm-85 -60.97 -46.82 89.21 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.097 -179.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 84' ' ' CYS . . . . . 0.5 ' SG ' ' O ' ' C' ' 81' ' ' MET . 21.1 p -65.19 -31.93 73.36 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.606 -0.438 . . . . 0.0 110.325 -179.706 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 10.5 tpt -66.97 -40.47 87.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.93 0.395 . . . . 0.0 110.465 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp -91.69 -0.66 57.58 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.777 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 87' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 66.16 169.97 0.23 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.275 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 88' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' C' ' 88' ' ' ASP . 59.0 p-10 -123.48 71.53 1.09 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.596 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.571 179.783 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' I' I ' 144' ' ' ARG . . . . . . . . . . . . . 36.7 ptt180 . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' I' I ' 145' ' ' ARG . . . . . . . . . . . . . 18.9 ttm-85 53.44 45.39 28.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.36 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 146' ' ' VAL . . . . . . . . . . . . . 33.6 m -41.56 146.91 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.581 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 147' ' ' ARG . . . . . . . . . . . . . 34.0 ttm105 -136.83 87.17 2.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.244 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 148' ' ' ILE . . . . . . . . . . . . . 2.9 mm -134.23 -13.33 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 121.089 0.471 . . . . 0.0 110.255 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 149' ' ' SER . . . . . . . . . . . . . 70.7 m -46.5 146.41 1.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.422 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 150' ' ' ALA . . . . . . . . . . . . . . . -59.59 -42.92 93.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.5 -179.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 151' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -63.42 -43.4 97.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.906 0.384 . . . . 0.0 110.521 179.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . -64.48 -40.72 96.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.845 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 153' ' ' MET . . . . . 0.498 ' SD ' ' O ' ' I' ' 153' ' ' MET . 0.0 OUTLIER -59.78 -45.12 93.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.309 -179.252 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' I' I ' 154' ' ' MET . . . . . . . . . . . . . 36.5 mmt -62.63 -39.82 95.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.224 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -61.38 -51.85 67.07 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.568 -179.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . -61.92 -35.27 77.89 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.262 179.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 157' ' ' LEU . . . . . . . . . . . . . 52.6 tp -58.61 -44.07 89.8 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.369 -178.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 158' ' ' LEU . . . . . . . . . . . . . 2.2 tt 167.69 -15.28 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 121.419 0.628 . . . . 0.0 110.074 -179.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 159' ' ' GLY . . . . . 0.414 ' O ' ' N ' ' I' ' 161' ' ' ARG . . . -49.52 -39.43 29.91 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.008 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' I' I ' 160' ' ' ALA . . . . . . . . . . . . . . . 51.68 -92.77 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.781 0.324 . . . . 0.0 110.615 179.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 161' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' I' ' 159' ' ' GLY . 64.1 mtm180 -124.44 135.78 53.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.606 179.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' I' I ' 162' ' ' HIS . . . . . . . . . . . . . 21.1 p80 -162.88 141.14 8.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.634 179.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 163' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -73.24 -19.31 61.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 179.537 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' I' I ' 164' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -76.47 96.65 4.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.991 0.424 . . . . 0.0 110.554 -179.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 165' ' ' SER . . . . . 0.456 ' O ' ' N ' ' I' ' 167' ' ' ASP . 66.4 m -74.45 -26.1 59.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.651 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' I' I ' 166' ' ' LEU . . . . . . . . . . . . . 85.8 mt 54.31 -87.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.571 -179.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 167' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' I' ' 165' ' ' SER . 97.6 m-20 -79.93 131.22 35.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.726 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' I' I ' 168' ' ' LEU . . . . . . . . . . . . . 64.5 mt -120.76 -27.9 4.97 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.734 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 169' ' ' ARG . . . . . . . . . . . . . 33.6 ptt180 -121.9 2.0 9.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.855 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 170' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.556 179.863 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpp? . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -89.45 124.48 34.52 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 121.046 0.45 . . . . 0.0 110.589 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 3' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' C' ' 3' ' ' ASP . 15.2 p-10 -66.99 -40.41 87.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.205 -179.811 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 27.6 pt -62.03 -37.05 77.41 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 CA-C-O 120.985 0.421 . . . . 0.0 110.708 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 5' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -62.48 -50.5 71.19 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.011 179.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -62.87 -44.51 95.93 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.054 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.69 -39.45 91.49 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.444 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.36 -46.58 88.0 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.059 -0.656 . . . . 0.0 110.731 -179.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 61.4 t -63.75 -46.79 93.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.808 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 40.5 tp10 -66.87 -34.07 76.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.189 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 11' ' ' GLN . . . . . 0.44 ' O ' ' C ' ' C' ' 12' ' ' LEU . 66.7 tt0 -61.1 -38.03 84.86 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.367 -179.287 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' C' ' 11' ' ' GLN . 91.0 mt -34.65 132.35 0.31 Allowed 'General case' 0 N--CA 1.464 0.258 0 O-C-N 123.355 0.41 . . . . 0.0 110.827 -179.522 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 13' ' ' THR . . . . . 0.436 ' OG1' ' OE1' ' C' ' 16' ' ' GLN . 67.9 p -75.72 166.03 24.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.802 -179.646 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -61.21 -33.69 73.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.287 0.565 . . . . 0.0 110.622 -179.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -73.11 -44.15 60.7 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.72 179.197 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 16' ' ' GLN . . . . . 0.436 ' OE1' ' OG1' ' C' ' 13' ' ' THR . 2.2 mp0 -59.09 -44.16 91.9 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.389 179.689 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -62.97 -39.45 94.71 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.513 179.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -63.51 -39.95 95.78 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 120.055 -0.658 . . . . 0.0 110.901 -179.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -60.96 -43.66 98.43 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 120.95 0.405 . . . . 0.0 111.074 -179.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -64.7 -41.11 96.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.128 0.49 . . . . 0.0 110.393 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 40.0 tptt -62.0 -39.97 94.05 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.975 179.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.59 -42.77 93.28 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.789 -0.365 . . . . 0.0 110.108 -179.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.96 -39.98 96.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.344 179.132 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -60.21 -45.95 91.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.42 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -59.49 -45.64 91.1 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.915 0.388 . . . . 0.0 110.754 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 87.8 mt -63.44 -39.57 85.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.148 0.499 . . . . 0.0 110.666 179.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -56.96 -38.11 72.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.156 -179.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . 0.416 ' O ' ' C ' ' C' ' 29' ' ' LEU . 34.8 m -92.26 30.84 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.747 179.579 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 29' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' C' ' 28' ' ' VAL . 0.9 OUTLIER -35.35 -40.31 0.14 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.052 -179.911 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . -151.93 52.18 0.49 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.074 -0.811 . . . . 0.0 111.074 179.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -93.66 121.09 34.73 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.48 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -63.33 -39.54 94.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.683 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 56.8 p30 -79.5 -14.31 58.97 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.81 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.83 18.67 80.11 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 179.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 35' ' ' CYS . . . . . . . . . . . . . 80.3 m -131.38 171.56 13.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.92 0.39 . . . . 0.0 110.854 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 1.2 mm -94.21 121.97 45.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.074 -179.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 37' ' ' SER . . . . . 0.451 ' OG ' ' OE1' ' C' ' 40' ' ' GLU . 34.9 p -129.09 -167.06 1.73 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.103 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 71.5 p -64.55 -22.54 67.0 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.416 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.11 -49.28 11.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.833 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 40' ' ' GLU . . . . . 0.451 ' OE1' ' OG ' ' C' ' 37' ' ' SER . 28.1 mp0 -61.97 -40.51 95.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.539 179.671 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 4.3 tp -70.53 -36.05 73.51 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.224 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.29 -40.8 97.92 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 -179.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 52.7 tttp -71.4 -39.23 71.27 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 121.214 0.53 . . . . 0.0 110.2 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.47 -39.52 81.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.651 179.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 9.2 mmt -51.69 -18.73 1.3 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.321 -178.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 24.6 mmt85 -61.47 -37.06 82.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.3 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 65.0 mtt -62.02 -40.07 94.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.132 -179.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 81.4 mt -66.99 -30.28 70.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.49 179.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 99.2 26.76 8.59 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -142.97 160.65 39.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.901 0.382 . . . . 0.0 110.659 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -141.47 80.14 16.62 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.475 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -60.27 -157.86 0.02 OUTLIER 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.939 2.426 . . . . 0.0 111.906 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 16.6 p -114.23 150.3 43.47 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 115.439 -0.801 . . . . 0.0 111.53 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -62.24 -28.19 78.94 Favored 'Trans proline' 0 N--CA 1.495 1.588 0 C-N-CA 122.029 1.82 . . . . 0.0 112.864 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 55' ' ' GLU . . . . . 0.473 ' CG ' ' N ' ' C' ' 56' ' ' GLU . 8.0 pt-20 -63.19 -49.28 74.85 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.014 0.435 . . . . 0.0 111.98 -179.074 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . 0.473 ' N ' ' CG ' ' C' ' 55' ' ' GLU . 11.7 pt-20 -71.54 -31.27 66.83 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.357 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 79.0 mt -62.36 -40.83 97.72 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.19 0.519 . . . . 0.0 110.128 179.174 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -67.9 -39.55 83.58 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.823 179.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -59.58 -42.95 93.65 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.321 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 75.5 mtm -64.02 -41.27 97.51 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.612 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 87.0 mt -61.84 -43.52 97.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 CA-C-O 121.175 0.512 . . . . 0.0 110.293 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -61.0 -38.41 85.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.636 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -60.81 -45.96 92.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.649 -0.251 . . . . 0.0 111.195 -179.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 10.7 p -81.82 -31.88 11.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 120.629 -0.429 . . . . 0.0 111.165 -179.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 65' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -70.24 126.31 29.28 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.569 -0.453 . . . . 0.0 110.562 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 66' ' ' GLU . . . . . 0.459 ' N ' ' OE1' ' C' ' 66' ' ' GLU . 59.9 mp0 -86.58 -16.15 37.69 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.405 179.119 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 58.3 p30 -104.35 -10.89 17.46 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.974 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 67.07 22.6 72.53 Favored Glycine 0 CA--C 1.52 0.394 0 N-CA-C 110.557 -1.017 . . . . 0.0 110.557 179.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 96.4 p -59.64 -28.2 67.03 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.998 -179.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 93.23 -1.58 70.16 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 68.2 p -132.81 163.85 28.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.728 0.299 . . . . 0.0 110.72 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 95.8 t -117.2 126.12 74.34 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.479 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -94.37 177.19 6.03 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.727 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -58.71 -49.29 78.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.214 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -61.93 -44.09 97.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.881 0.372 . . . . 0.0 110.146 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -65.2 -40.22 93.9 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.091 0.472 . . . . 0.0 110.132 178.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -59.63 -47.15 86.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.354 178.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 6.8 tp -63.4 -39.53 94.76 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.311 -0.556 . . . . 0.0 110.001 -179.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 73.3 t -63.33 -44.12 98.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.44 -179.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 1.9 ptt? -68.66 -30.99 69.8 Favored 'General case' 0 CA--C 1.519 -0.217 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 -178.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.67 -47.66 62.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.04 -179.605 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 70.4 t -63.6 -45.06 98.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.549 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 83' ' ' ARG . . . . . 0.488 ' O ' ' N ' ' C' ' 87' ' ' ASP . 20.9 mtt180 -61.9 -44.54 96.59 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.765 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 84' ' ' CYS . . . . . . . . . . . . . 98.1 m -65.45 -40.1 92.82 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.659 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 85' ' ' MET . . . . . 0.433 ' SD ' ' C ' ' C' ' 85' ' ' MET . 0.7 OUTLIER -62.9 -44.07 97.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.688 -179.098 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -85.75 -51.13 6.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.669 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 87' ' ' ASP . . . . . 0.488 ' N ' ' O ' ' C' ' 83' ' ' ARG . 54.4 t0 47.74 50.65 15.11 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.438 179.476 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -124.3 73.85 1.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.528 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 60.5 p . . . . . 0 C--O 1.22 -0.5 0 CA-C-O 117.963 -1.018 . . . . 0.0 110.516 179.762 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' I' I ' 144' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' I' I ' 145' ' ' ARG . . . . . . . . . . . . . 82.4 mtt85 -83.18 -84.9 0.12 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.634 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 146' ' ' VAL . . . . . . . . . . . . . 55.4 t -62.79 -44.58 99.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.734 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 147' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -83.73 126.0 32.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.553 -179.499 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' I' I ' 148' ' ' ILE . . . . . 0.431 ' O ' ' OG ' ' I' ' 149' ' ' SER . 3.1 tp -68.22 -29.36 44.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.504 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' I' I ' 149' ' ' SER . . . . . 0.431 ' OG ' ' O ' ' I' ' 148' ' ' ILE . 2.2 p 74.13 122.52 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.202 -179.666 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' I' I ' 150' ' ' ALA . . . . . . . . . . . . . . . -61.05 -20.83 63.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.345 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 151' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -58.8 -41.97 87.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.577 -179.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . -61.98 -44.25 97.13 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.507 179.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 58.2 ttm -70.1 -40.57 74.87 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 121.281 0.562 . . . . 0.0 110.568 179.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 154' ' ' MET . . . . . 0.45 ' O ' ' O ' ' I' ' 157' ' ' LEU . 2.0 mtt -60.7 -23.43 64.87 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.224 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' I' I ' 155' ' ' GLN . . . . . 0.599 HE22 ' HD1' ' I' ' 162' ' ' HIS . 69.3 tp60 -61.69 -42.02 98.36 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.065 -179.245 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . -69.52 -41.4 76.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.148 179.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 157' ' ' LEU . . . . . 0.45 ' O ' ' O ' ' I' ' 154' ' ' MET . 0.0 OUTLIER -138.9 150.74 46.28 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.403 -178.587 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' I' I ' 158' ' ' LEU . . . . . . . . . . . . . 4.8 mp 58.23 89.76 0.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.062 -179.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 159' ' ' GLY . . . . . . . . . . . . . . . -60.4 152.28 38.06 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 -179.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 160' ' ' ALA . . . . . 0.652 ' H ' ' CD2' ' I' ' 162' ' ' HIS . . . -147.24 70.31 1.18 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.761 0.315 . . . . 0.0 110.781 -179.691 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' I' I ' 161' ' ' ARG . . . . . . . . . . . . . 31.1 ttm180 59.91 54.21 4.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.843 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 162' ' ' HIS . . . . . 0.652 ' CD2' ' H ' ' I' ' 160' ' ' ALA . 26.9 p80 -162.22 172.04 16.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.459 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' I' I ' 163' ' ' LYS . . . . . 0.484 ' O ' ' ND1' ' I' ' 162' ' ' HIS . 37.8 mttp -40.68 149.1 0.08 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.586 179.336 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' I' I ' 164' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 58.34 40.77 24.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.171 -179.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 165' ' ' SER . . . . . 0.408 ' OG ' ' O ' ' I' ' 162' ' ' HIS . 70.0 m -61.4 138.92 58.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.451 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' I' I ' 166' ' ' LEU . . . . . . . . . . . . . 67.9 mt -112.48 102.77 10.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.542 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 167' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 41.68 71.28 0.22 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.602 179.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 168' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -78.58 -4.82 50.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.699 -179.712 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' I' I ' 169' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -84.33 92.46 8.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.921 0.391 . . . . 0.0 110.617 179.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 170' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 118.003 -0.999 . . . . 0.0 110.509 179.913 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.28 0 CA-C-O 120.502 0.191 . . . . 0.0 110.55 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.48 -41.93 92.75 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.501 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 55.8 t -69.26 -43.29 81.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.674 179.226 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -62.22 -40.71 97.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.288 -179.25 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -64.42 -37.77 88.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.299 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 12' ' ' LEU . . . . . 0.546 ' O ' ' NZ ' ' C' ' 17' ' ' LYS . 0.9 OUTLIER -47.87 143.88 3.84 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.661 -179.606 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 71.1 p -78.63 162.86 25.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.539 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 14' ' ' GLU . . . . . 0.427 ' O ' ' OD1' ' C' ' 18' ' ' ASN . 96.9 mt-10 -63.02 -37.35 86.82 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.565 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -66.21 -42.88 88.14 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.785 -179.289 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 16' ' ' GLN . . . . . 0.454 ' O ' ' CD2' ' C' ' 20' ' ' PHE . 58.6 mt-30 -61.36 -41.67 97.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.898 179.458 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 17' ' ' LYS . . . . . 0.546 ' NZ ' ' O ' ' C' ' 12' ' ' LEU . 51.2 mttp -65.21 -39.55 92.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.829 179.3 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 18' ' ' ASN . . . . . 0.427 ' OD1' ' O ' ' C' ' 14' ' ' GLU . 27.2 m120 -62.43 -39.36 93.08 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.978 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.03 -45.77 92.12 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.747 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 20' ' ' PHE . . . . . 0.454 ' CD2' ' O ' ' C' ' 16' ' ' GLN . 47.7 m-85 -69.59 -38.93 77.53 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.619 179.465 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -60.22 -40.24 89.49 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.148 179.107 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.26 -42.25 98.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.3 179.341 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.45 -38.2 88.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.398 178.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -57.92 -47.66 82.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.405 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -59.46 -39.79 84.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.29 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 93.6 mt -68.33 -39.74 81.42 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.241 0 CA-C-O 121.199 0.523 . . . . 0.0 110.597 179.26 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 27' ' ' PHE . . . . . 0.452 ' CE1' HG21 ' C' ' 44' ' ' VAL . 2.6 m-85 -57.96 -41.35 82.68 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.238 -178.797 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 27.0 m -78.23 20.38 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.928 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 29' ' ' LEU . . . . . 0.681 HD12 ' N ' ' C' ' 30' ' ' GLY . 3.6 pp -59.68 -10.41 3.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.515 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 30' ' ' GLY . . . . . 0.681 ' N ' HD12 ' C' ' 29' ' ' LEU . . . -119.46 8.61 12.03 Favored Glycine 0 CA--C 1.519 0.321 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 -179.122 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 31' ' ' ALA . . . . . 0.409 ' CB ' ' O ' ' C' ' 35' ' ' CYS . . . -126.04 125.35 42.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.823 0.344 . . . . 0.0 110.641 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -81.49 -31.06 33.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.893 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -72.13 -15.58 61.98 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.526 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 89.23 10.54 65.89 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 35' ' ' CYS . . . . . 0.409 ' O ' ' CB ' ' C' ' 31' ' ' ALA . 75.3 m -101.59 150.93 22.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.793 0.33 . . . . 0.0 110.465 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 84.3 mt -102.6 121.34 53.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.118 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 49.6 m -122.16 -168.63 1.75 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.581 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 73.1 p -64.43 -31.37 72.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.349 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 63.6 mmtt -62.45 -45.15 94.37 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.781 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 46.7 mp0 -64.88 -42.78 94.52 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.728 179.124 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 10.9 tp -68.07 -35.97 79.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.192 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.53 -40.99 98.55 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.786 -0.926 . . . . 0.0 110.786 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -66.52 -40.2 89.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.866 0.365 . . . . 0.0 110.595 179.043 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 44' ' ' VAL . . . . . 0.452 HG21 ' CE1' ' C' ' 27' ' ' PHE . 74.7 t -63.29 -47.16 93.41 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.518 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 27.3 mtt -63.24 -38.78 92.5 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.864 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -57.57 -43.72 84.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.368 -179.107 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 51.3 ttm -62.82 -39.12 93.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.065 0.46 . . . . 0.0 110.579 178.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 95.6 mt -65.57 -18.92 65.68 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.572 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.41 8.32 41.05 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -104.8 131.98 51.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.839 0.352 . . . . 0.0 110.466 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 51' ' ' ASN . . . . . 0.44 ' N ' ' OD1' ' C' ' 51' ' ' ASN . 21.3 p-10 -136.22 64.68 54.83 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.807 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -72.36 -167.38 0.32 Allowed 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 123.011 2.474 . . . . 0.0 112.02 179.47 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 2.2 p -90.26 151.51 44.73 Favored Pre-proline 0 C--O 1.242 0.658 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.091 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -61.84 -30.36 84.13 Favored 'Trans proline' 0 C--N 1.308 -1.591 0 C-N-CA 122.463 2.109 . . . . 0.0 112.217 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -62.56 -36.25 82.06 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.13 -0.487 . . . . 0.0 109.85 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -68.71 -40.78 79.79 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.201 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 8.9 mp -60.37 -40.96 92.66 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.842 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 58' ' ' GLN . . . . . 0.535 ' NE2' ' OD2' ' C' ' 62' ' ' ASP . 25.8 tm0? -66.2 -42.12 89.23 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 -64.37 -39.21 93.43 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.129 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -60.06 -44.95 94.37 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.987 0.422 . . . . 0.0 110.499 -179.437 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 61' ' ' ILE . . . . . 0.424 ' O ' ' N ' ' C' ' 65' ' ' ASP . 87.4 mt -60.48 -41.45 87.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.211 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 62' ' ' ASP . . . . . 0.535 ' OD2' ' NE2' ' C' ' 58' ' ' GLN . 95.4 m-20 -59.69 -39.01 83.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.606 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -61.91 -41.43 97.91 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.394 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 53.8 t -85.43 -32.06 7.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 65' ' ' ASP . . . . . 0.506 ' OD2' ' N ' ' C' ' 69' ' ' SER . 47.7 t0 -83.81 116.51 22.75 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.547 -179.578 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -72.01 -34.69 69.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.51 -179.482 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 67' ' ' ASP . . . . . 0.401 ' OD1' ' OD1' ' C' ' 65' ' ' ASP . 0.6 OUTLIER -81.66 -14.83 56.15 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.041 -179.777 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 65.67 20.03 67.74 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.5 -1.04 . . . . 0.0 110.5 179.223 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 69' ' ' SER . . . . . 0.506 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 84.5 p -60.6 -21.59 62.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.792 0.329 . . . . 0.0 110.72 -179.179 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 86.77 5.24 81.65 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 69.4 p -128.94 152.76 48.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.721 0.296 . . . . 0.0 110.494 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 94.1 t -119.31 124.48 73.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.672 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -103.01 -177.36 3.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.746 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -58.89 -48.16 82.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.706 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -60.32 -46.24 90.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.617 -179.139 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -65.89 -40.15 91.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.929 0.395 . . . . 0.0 110.597 178.762 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -60.16 -46.02 91.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.352 178.675 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 62.3 tp -60.12 -44.65 94.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.466 -179.476 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 57.5 t -63.05 -42.6 97.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.895 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 43.3 ttp -63.6 -39.03 93.32 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.167 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 81' ' ' MET . . . . . 0.457 ' C ' ' SD ' ' C' ' 81' ' ' MET . 0.0 OUTLIER -63.84 -47.46 80.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.695 -179.113 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 75.8 t -66.68 -42.0 88.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.58 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 77.1 ttt-85 -60.85 -44.45 96.97 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.709 -178.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 84' ' ' CYS . . . . . . . . . . . . . 92.0 m -62.8 -41.71 99.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.803 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 8.0 tpt -66.49 -44.62 82.12 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.604 -179.179 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 62.3 tttp . . . . . 0 N--CA 1.451 -0.383 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.752 179.506 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.899 0.381 . . . . 0.0 110.559 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 26.5 ttm -63.48 -43.33 97.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.851 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 154' ' ' MET . . . . . 0.405 ' N ' ' SD ' ' I' ' 154' ' ' MET . 0.0 OUTLIER -59.09 -37.86 78.14 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.388 -179.347 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 -72.23 -34.37 68.26 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.851 0.358 . . . . 0.0 110.81 179.226 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.449 -179.8 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.2 0 CA-C-O 120.835 0.35 . . . . 0.0 110.431 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.83 -42.21 97.69 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.549 -179.453 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 57.6 t -62.2 -47.38 93.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.643 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -67.21 -40.7 86.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.743 179.548 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.35 -38.9 91.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.944 -179.493 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 1.2 mp -50.21 137.17 18.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.921 0.391 . . . . 0.0 110.992 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 72.1 p -77.07 165.78 24.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.522 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -61.04 -37.34 82.25 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.949 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -65.36 -41.14 94.14 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.801 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -63.58 -40.87 98.05 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.048 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 7.0 mtpt -66.19 -38.63 88.46 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.177 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -61.18 -43.02 99.54 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 119.913 -0.715 . . . . 0.0 110.369 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -63.32 -40.01 96.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.59 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 20' ' ' PHE . . . . . 0.473 ' CD1' ' C ' ' C' ' 20' ' ' PHE . 0.0 OUTLIER -61.16 -43.87 98.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.522 179.51 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -59.44 -40.97 88.52 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.731 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.55 -42.24 99.41 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.462 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.87 -41.33 99.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.744 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 24' ' ' PHE . . . . . 0.637 ' CD2' ' CE1' ' C' ' 74' ' ' PHE . 55.1 t80 -60.35 -43.35 96.59 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.322 -179.66 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -59.19 -41.14 87.81 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.058 0.456 . . . . 0.0 110.366 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 97.0 mt -68.86 -41.78 82.29 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 CA-C-O 121.044 0.45 . . . . 0.0 110.675 179.259 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -56.47 -40.05 74.21 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.957 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 33.5 m -83.28 26.09 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 120.919 -0.313 . . . . 0.0 110.878 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 1.5 pp -45.0 -31.98 1.49 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.048 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . -118.54 23.98 8.75 Favored Glycine 0 CA--C 1.529 0.928 0 N-CA-C 111.799 -0.52 . . . . 0.0 111.799 -179.363 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 31' ' ' ALA . . . . . 0.508 ' N ' ' OE2' ' C' ' 40' ' ' GLU . . . -135.89 94.25 3.04 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.158 0.504 . . . . 0.0 110.628 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -73.1 -11.11 60.43 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.173 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -83.56 -11.45 57.35 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.437 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 81.96 22.43 59.46 Favored Glycine 0 CA--C 1.522 0.489 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 35' ' ' CYS . . . . . . . . . . . . . 75.2 m -123.63 142.49 51.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.888 0.375 . . . . 0.0 110.836 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 3.4 mt -107.2 124.38 63.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.2 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 37' ' ' SER . . . . . 0.44 ' OG ' ' N ' ' C' ' 38' ' ' THR . 41.4 t -123.32 -166.17 1.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.337 -179.668 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 38' ' ' THR . . . . . 0.44 ' N ' ' OG ' ' C' ' 37' ' ' SER . 70.6 p -66.14 -29.73 70.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.719 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 39' ' ' LYS . . . . . 0.574 ' NZ ' ' CB ' ' C' ' 39' ' ' LYS . 0.0 OUTLIER -61.71 -50.74 71.23 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.656 -0.418 . . . . 0.0 110.814 -179.595 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 40' ' ' GLU . . . . . 0.508 ' OE2' ' N ' ' C' ' 31' ' ' ALA . 49.3 mt-10 -70.33 -39.3 74.81 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 120.335 -0.546 . . . . 0.0 111.12 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 1.5 tp -65.53 -39.56 91.93 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -179.354 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.77 -38.66 96.3 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.6 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.27 -42.32 93.31 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.085 0.469 . . . . 0.0 110.593 -179.368 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 65.2 t -63.37 -41.28 92.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.208 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 22.1 mmt -60.57 -40.52 91.96 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.67 -179.09 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 61.0 mtm180 -62.52 -39.19 92.78 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.143 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 7.7 mmm -62.4 -38.7 90.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.123 0.487 . . . . 0.0 110.27 179.503 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 93.9 mt -68.39 -16.68 64.01 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.608 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 101.19 9.21 45.49 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -109.98 141.43 42.77 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.754 0.311 . . . . 0.0 110.2 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -139.9 73.43 33.47 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.702 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -77.63 -171.07 1.08 Allowed 'Trans proline' 0 C--N 1.307 -1.635 0 C-N-CA 122.786 2.324 . . . . 0.0 112.166 -179.546 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 7.9 p -92.18 154.51 43.15 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.46 -179.407 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_exo -52.15 -38.26 70.81 Favored 'Trans proline' 0 N--CA 1.497 1.721 0 C-N-CA 121.801 1.667 . . . . 0.0 112.489 179.198 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -61.82 -37.04 82.92 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.075 0.464 . . . . 0.0 111.27 -178.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -66.72 -40.95 88.62 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.053 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 82.4 mt -62.72 -40.92 98.69 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.395 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 11.5 tp-100 -66.41 -41.4 89.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.148 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -63.79 -40.01 95.62 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.791 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 8.4 mmt -60.15 -43.59 95.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.425 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 61' ' ' ILE . . . . . 0.432 HG21 ' C ' ' C' ' 70' ' ' GLY . 96.7 mt -67.85 -39.47 81.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.012 179.365 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -58.92 -39.45 81.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.573 -179.162 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -61.21 -38.78 87.79 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.535 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 46.5 t -89.97 -31.23 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.256 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 65' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' C' ' 61' ' ' ILE . 66.4 t0 -79.88 116.38 20.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.11 -178.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -76.51 -38.17 55.59 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.953 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 67' ' ' ASP . . . . . 0.41 ' OD2' ' OG ' ' C' ' 69' ' ' SER . 0.5 OUTLIER -76.53 -12.89 60.1 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.0 -179.432 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.71 14.27 67.2 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.536 -1.025 . . . . 0.0 110.536 179.219 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 69' ' ' SER . . . . . 0.41 ' OG ' ' OD2' ' C' ' 67' ' ' ASP . 98.1 p -62.16 -22.87 66.22 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 121.084 -0.247 . . . . 0.0 110.805 -179.346 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 70' ' ' GLY . . . . . 0.432 ' C ' HG21 ' C' ' 61' ' ' ILE . . . 88.18 6.13 75.36 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 58.7 p -133.83 159.26 41.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.514 0.197 . . . . 0.0 110.532 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 47.1 t -117.1 124.31 72.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 56.1 p30 -94.53 -169.97 2.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.043 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 74' ' ' PHE . . . . . 0.637 ' CE1' ' CD2' ' C' ' 24' ' ' PHE . 5.9 m-85 -60.87 -50.75 72.15 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 75' ' ' ASP . . . . . 0.406 ' O ' HG23 ' C' ' 79' ' ' VAL . 97.6 m-20 -63.02 -44.65 95.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.215 -179.218 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -65.27 -41.65 93.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.307 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -61.95 -46.04 91.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.415 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 47.7 tp -60.87 -41.48 96.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.97 -178.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 79' ' ' VAL . . . . . 0.406 HG23 ' O ' ' C' ' 75' ' ' ASP . 54.5 t -62.24 -40.27 87.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.329 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 64.8 ttp -63.52 -39.33 94.15 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.078 -179.552 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 23.2 ttt -61.85 -46.11 90.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.491 -179.451 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 66.5 t -65.41 -40.99 90.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.698 179.498 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 3.5 ttp85 -56.67 -43.41 80.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.367 -178.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 84' ' ' CYS . . . . . . . . . . . . . 54.1 t -61.5 -45.7 93.1 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.287 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 18.9 mmt -61.41 -28.96 69.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.443 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 67.3 mmtt . . . . . 0 C--N 1.326 -0.416 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.56 -179.614 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.798 0.333 . . . . 0.0 110.528 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 50.6 ttm -61.87 -46.35 89.81 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.589 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 154' ' ' MET . . . . . . . . . . . . . 10.5 mmt -62.7 -39.91 95.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.696 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -60.95 -43.9 98.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.645 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.338 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.802 -179.999 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.187 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.99 -41.89 99.7 Favored 'General case' 0 C--N 1.333 -0.152 0 C-N-CA 120.307 -0.557 . . . . 0.0 110.068 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 53.0 t -61.71 -46.85 95.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.124 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -70.45 -38.45 74.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.765 179.645 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -70.72 -19.54 62.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.081 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 12' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' C' ' 12' ' ' LEU . 2.5 tp -54.24 148.45 11.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.924 0.392 . . . . 0.0 110.462 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 68.9 p -76.97 161.88 28.02 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.64 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -64.57 -39.41 93.69 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.354 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -62.82 -44.08 97.11 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.748 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -63.05 -40.71 98.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.153 0.502 . . . . 0.0 109.804 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 14.5 mmmt -63.11 -40.74 98.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.457 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -65.83 -39.77 91.14 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.443 -0.503 . . . . 0.0 111.264 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -62.1 -40.74 96.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.982 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -74.63 -38.61 62.47 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.096 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 24.4 ttpp -58.93 -41.41 87.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.299 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.2 -41.75 97.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.891 0.377 . . . . 0.0 110.222 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.62 -40.0 95.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.46 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 24' ' ' PHE . . . . . 0.565 ' O ' HG22 ' C' ' 28' ' ' VAL . 84.4 t80 -58.66 -45.83 88.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.098 -179.626 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -59.3 -44.02 92.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.069 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 87.0 mt -65.57 -42.94 94.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.906 179.104 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 27' ' ' PHE . . . . . 0.791 ' CE1' HG21 ' C' ' 44' ' ' VAL . 1.9 m-85 -59.44 -39.65 84.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.032 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 28' ' ' VAL . . . . . 0.644 ' O ' ' N ' ' C' ' 30' ' ' GLY . 22.1 m -94.42 34.44 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.431 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -38.32 80.28 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.89 0.744 . . . . 0.0 111.622 -179.543 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 30' ' ' GLY . . . . . 0.644 ' N ' ' O ' ' C' ' 28' ' ' VAL . . . 64.72 31.02 79.53 Favored Glycine 0 CA--C 1.528 0.853 0 N-CA-C 110.665 -0.974 . . . . 0.0 110.665 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.55 132.68 13.68 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.296 -179.301 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -62.81 -42.85 99.89 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.633 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 56.8 p-10 -85.19 -12.72 52.01 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.965 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 79.92 11.09 84.93 Favored Glycine 0 CA--C 1.52 0.379 0 N-CA-C 110.687 -0.965 . . . . 0.0 110.687 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 35' ' ' CYS . . . . . . . . . . . . . 78.4 m -133.52 164.28 27.52 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.356 -0.422 . . . . 0.0 110.776 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 80.5 mt -90.8 119.87 38.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 96.6 p -123.96 -169.2 1.91 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.915 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 73.9 p -62.39 -31.94 72.69 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.354 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -65.55 -46.49 79.29 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 121.188 0.518 . . . . 0.0 110.689 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -65.34 -39.79 92.83 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.396 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 1.4 mp -60.48 -40.31 90.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.201 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.04 -39.25 95.47 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.77 -49.81 69.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.312 0.577 . . . . 0.0 110.317 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 44' ' ' VAL . . . . . 0.791 HG21 ' CE1' ' C' ' 27' ' ' PHE . 77.3 t -62.37 -45.25 99.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.907 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 22.0 mmt -60.91 -36.98 80.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.624 -179.191 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 15.9 ttp85 -53.1 -37.14 61.47 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.126 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 97.7 mtp -63.71 -39.75 95.07 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.228 0.537 . . . . 0.0 110.304 179.354 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 97.2 mt -68.45 -21.77 64.62 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.563 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 98.93 13.03 41.29 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 89.4 mm-40 -109.34 137.4 47.26 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.064 0.459 . . . . 0.0 111.246 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 41.4 t-20 -139.17 73.75 37.25 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.408 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -77.5 -176.04 3.0 Favored 'Trans proline' 0 C--N 1.308 -1.58 0 C-N-CA 122.535 2.157 . . . . 0.0 111.924 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 74.4 p -79.69 149.41 71.12 Favored Pre-proline 0 CA--C 1.539 0.555 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.471 -179.233 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -65.66 -32.71 47.07 Favored 'Trans proline' 0 N--CA 1.495 1.587 0 C-N-CA 121.82 1.68 . . . . 0.0 112.196 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 55' ' ' GLU . . . . . 0.459 ' CG ' ' N ' ' C' ' 56' ' ' GLU . 21.5 pt-20 -65.65 -42.84 90.95 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.207 -179.098 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 56' ' ' GLU . . . . . 0.459 ' N ' ' CG ' ' C' ' 55' ' ' GLU . 1.3 pp20? -73.6 -30.23 62.87 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.149 -0.62 . . . . 0.0 109.387 -179.111 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 65.6 mt -62.62 -39.8 94.93 Favored 'General case' 0 CA--C 1.515 -0.392 0 C-N-CA 120.403 -0.519 . . . . 0.0 109.822 178.436 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -68.05 -39.51 83.02 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 119.755 -0.778 . . . . 0.0 109.858 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.01 -40.61 96.28 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.535 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 89.3 mtp -61.03 -43.27 99.13 Favored 'General case' 0 CA--C 1.516 -0.329 0 C-N-CA 119.915 -0.714 . . . . 0.0 110.474 178.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 61' ' ' ILE . . . . . 0.442 HG21 ' C ' ' C' ' 70' ' ' GLY . 95.2 mt -64.18 -43.2 97.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 120.33 -0.548 . . . . 0.0 110.397 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.22 -41.92 94.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.04 -179.361 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.1 -41.8 97.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.869 0.366 . . . . 0.0 110.812 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 86.5 t -80.07 -32.27 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.731 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 65' ' ' ASP . . . . . 0.503 ' OD2' ' N ' ' C' ' 69' ' ' SER . 68.0 t0 -77.5 115.44 17.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.596 -179.258 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -62.17 -39.92 94.28 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.842 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 67' ' ' ASP . . . . . 0.409 ' OD1' ' OD1' ' C' ' 65' ' ' ASP . 0.1 OUTLIER -83.76 -11.95 56.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.699 -179.638 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 66.52 23.03 71.87 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.575 -1.01 . . . . 0.0 110.575 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 69' ' ' SER . . . . . 0.503 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 65.2 m -57.9 -29.75 65.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.591 0.234 . . . . 0.0 110.756 -178.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 70' ' ' GLY . . . . . 0.442 ' C ' HG21 ' C' ' 61' ' ' ILE . . . 95.84 -4.72 66.03 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 -179.518 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 14.0 p -133.65 163.09 30.21 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 2.0 t -110.49 123.98 66.86 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 CA-C-O 121.151 0.5 . . . . 0.0 110.192 179.523 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 73' ' ' ASP . . . . . 0.444 ' H ' ' HB2' ' C' ' 76' ' ' GLU . 98.6 m-20 -93.87 178.92 5.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.298 -0.864 . . . . 0.0 109.949 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -59.93 -49.52 77.36 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.749 -178.611 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -66.98 -40.31 87.39 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.952 0.406 . . . . 0.0 110.914 179.539 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 76' ' ' GLU . . . . . 0.444 ' HB2' ' H ' ' C' ' 73' ' ' ASP . 99.1 mt-10 -63.77 -39.55 94.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.28 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -61.48 -42.3 98.58 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 179.691 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 13.1 mt -58.15 -44.23 87.78 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.057 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 59.3 t -63.92 -43.97 97.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 C-N-CA 120.729 -0.389 . . . . 0.0 111.207 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 14.6 tmm? -65.11 -37.7 88.31 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.042 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 81' ' ' MET . . . . . 0.472 ' O ' ' SD ' ' C' ' 81' ' ' MET . 0.0 OUTLIER -60.47 -49.15 78.72 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.605 -178.928 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 60.5 t -65.19 -41.55 91.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.969 0.414 . . . . 0.0 110.38 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -59.92 -42.58 94.21 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.556 -179.544 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 84' ' ' CYS . . . . . . . . . . . . . 50.5 t -61.28 -43.44 98.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.88 0.371 . . . . 0.0 110.219 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 21.8 mmm -57.83 -43.02 85.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.818 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 29.6 mmtm . . . . . 0 C--N 1.33 -0.269 0 CA-C-O 120.771 0.319 . . . . 0.0 110.746 179.782 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.111 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 18.2 tpt -59.24 -47.33 85.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.457 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 154' ' ' MET . . . . . . . . . . . . . 22.5 mmt -63.5 -41.33 98.54 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.771 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -63.55 -42.9 98.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.592 -179.462 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.187 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.721 179.509 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.42 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.21 -43.17 99.31 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.015 -0.674 . . . . 0.0 110.033 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 54.6 t -62.57 -47.42 93.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.093 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -64.82 -40.06 94.58 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.834 0.35 . . . . 0.0 110.543 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -62.94 -37.07 85.56 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.904 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 2.0 mp -59.09 134.19 56.76 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-O 120.968 0.413 . . . . 0.0 110.732 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 63.8 p -78.92 166.49 22.32 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.61 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -62.37 -34.69 77.19 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.194 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -66.09 -42.14 89.69 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.656 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 -64.86 -40.94 95.93 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.353 -0.539 . . . . 0.0 109.698 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 23.4 mmtp -62.42 -40.31 96.11 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.735 179.118 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 40.0 t-20 -63.24 -42.54 99.21 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 119.747 -0.781 . . . . 0.0 110.77 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 -63.35 -38.91 92.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.84 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 20' ' ' PHE . . . . . 0.6 ' CE2' ' SD ' ' C' ' 81' ' ' MET . 3.8 m-85 -60.67 -43.9 97.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.145 0.498 . . . . 0.0 110.578 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 16.7 mtpt -62.78 -38.76 91.89 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.283 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.89 -43.42 94.79 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.306 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.2 -42.34 99.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.941 0.401 . . . . 0.0 110.197 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -61.92 -44.31 97.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.464 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 25' ' ' ASP . . . . . 0.415 ' O ' HG22 ' C' ' 28' ' ' VAL . 98.3 m-20 -59.93 -41.31 91.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.363 -179.611 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 96.8 mt -70.88 -41.22 77.2 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.659 0 CA-C-O 121.183 0.516 . . . . 0.0 110.249 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 27' ' ' PHE . . . . . 0.555 ' CZ ' HG21 ' C' ' 44' ' ' VAL . 0.4 OUTLIER -54.28 -37.41 64.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.185 -179.357 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 28' ' ' VAL . . . . . 0.415 HG22 ' O ' ' C' ' 25' ' ' ASP . 26.7 m -79.85 17.17 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.094 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 29' ' ' LEU . . . . . 0.66 HD12 ' N ' ' C' ' 30' ' ' GLY . 3.3 pp -55.38 -9.03 0.4 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.39 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 30' ' ' GLY . . . . . 0.66 ' N ' HD12 ' C' ' 29' ' ' LEU . . . -130.98 16.57 5.26 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -130.33 116.91 18.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.908 0.385 . . . . 0.0 111.532 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 32' ' ' GLU . . . . . 0.404 ' OE1' ' N ' ' C' ' 32' ' ' GLU . 18.4 pm0 -75.34 -25.1 57.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.399 179.344 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -87.8 -10.23 51.54 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.642 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.54 14.75 72.78 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 35' ' ' CYS . . . . . . . . . . . . . 81.6 m -105.94 142.61 35.35 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.525 0.202 . . . . 0.0 110.64 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 36' ' ' ILE . . . . . 0.409 ' C ' ' HG1' ' C' ' 71' ' ' THR . 31.9 mm -103.76 117.83 49.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 15.5 m -114.05 -166.13 1.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.542 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 74.8 p -63.36 -33.67 76.03 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.167 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt -61.79 -45.0 95.75 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.739 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 58.3 mp0 -69.31 -41.37 76.84 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.26 0.552 . . . . 0.0 110.672 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 41' ' ' LEU . . . . . 0.445 HD12 HD11 ' C' ' 61' ' ' ILE . 20.6 mt -62.75 -30.83 71.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.823 178.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.41 -38.0 92.83 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -70.86 -41.98 70.69 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 121.315 0.579 . . . . 0.0 109.817 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 44' ' ' VAL . . . . . 0.555 HG21 ' CZ ' ' C' ' 27' ' ' PHE . 77.2 t -61.81 -43.63 97.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.3 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 21.7 mmt -61.2 -40.39 93.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.841 -179.194 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 29.1 mtp-105 -61.7 -39.04 90.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.446 179.589 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 96.7 mmm -61.82 -38.0 86.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.141 0.496 . . . . 0.0 109.926 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 96.6 mt -76.99 -2.55 34.42 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.024 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 82.6 19.1 64.56 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 111.314 -0.714 . . . . 0.0 111.314 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 29.1 mm100 -111.93 145.12 40.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.895 0.379 . . . . 0.0 110.408 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -132.05 73.1 78.54 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.443 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -76.67 -168.07 0.53 Allowed 'Trans proline' 0 C--N 1.308 -1.591 0 C-N-CA 122.678 2.252 . . . . 0.0 111.356 179.266 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 3.0 p -123.45 157.07 62.97 Favored Pre-proline 0 CA--C 1.537 0.447 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.058 -179.019 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -51.24 -36.57 57.01 Favored 'Trans proline' 0 N--CA 1.499 1.845 0 C-N-CA 121.906 1.737 . . . . 0.0 112.372 179.17 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.15 -53.37 59.06 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 112.902 0.705 . . . . 0.0 112.902 -178.724 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -71.41 -30.71 66.41 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.024 -0.67 . . . . 0.0 110.058 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 82.9 mt -64.27 -39.64 94.35 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.091 178.477 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 24.2 tm0? -64.05 -42.26 97.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.524 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -63.19 -40.6 97.96 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.298 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 66.7 mmm -60.3 -43.58 96.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.307 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 61' ' ' ILE . . . . . 0.445 HD11 HD12 ' C' ' 41' ' ' LEU . 97.0 mt -68.17 -40.53 82.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.566 179.345 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -57.72 -35.92 71.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.105 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -57.95 -42.17 84.4 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.733 -178.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 19.6 m -92.18 -27.24 4.76 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.534 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 65' ' ' ASP . . . . . 0.557 ' OD2' ' N ' ' C' ' 69' ' ' SER . 26.2 t0 -70.35 121.16 17.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.874 0.369 . . . . 0.0 110.839 -178.735 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -81.6 -41.77 21.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.088 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 67' ' ' ASP . . . . . 0.472 ' OD1' ' OD1' ' C' ' 65' ' ' ASP . 37.1 p-10 -93.04 3.25 56.06 Favored 'General case' 0 CA--C 1.52 -0.174 0 C-N-CA 120.471 -0.492 . . . . 0.0 111.807 -179.636 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 66.84 26.6 73.13 Favored Glycine 0 CA--C 1.52 0.378 0 N-CA-C 110.119 -1.192 . . . . 0.0 110.119 179.406 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 69' ' ' SER . . . . . 0.557 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 94.3 p -55.7 -23.36 28.3 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.464 -178.794 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 70' ' ' GLY . . . . . 0.403 ' N ' ' OD2' ' C' ' 65' ' ' ASP . . . 85.97 1.49 86.79 Favored Glycine 0 CA--C 1.518 0.281 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.278 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 71' ' ' THR . . . . . 0.409 ' HG1' ' C ' ' C' ' 36' ' ' ILE . 0.2 OUTLIER -146.57 163.93 34.22 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.131 0.491 . . . . 0.0 110.787 179.529 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 31.1 t -99.24 128.68 50.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.863 -179.193 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -94.22 175.53 6.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.419 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -58.01 -48.14 80.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.999 0.428 . . . . 0.0 110.732 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -62.31 -44.12 97.25 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.102 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -62.78 -39.16 93.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.724 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -58.06 -49.12 78.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.607 179.201 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 78' ' ' LEU . . . . . 0.473 ' O ' HG23 ' C' ' 82' ' ' VAL . 10.3 mt -61.47 -45.15 95.45 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.251 -0.579 . . . . 0.0 111.178 179.438 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 73.9 t -68.72 -41.06 82.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -179.337 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 15.2 tmm? -63.78 -42.38 97.78 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.19 0.519 . . . . 0.0 109.944 -179.052 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 81' ' ' MET . . . . . 0.6 ' SD ' ' CE2' ' C' ' 20' ' ' PHE . 44.0 ttm -67.41 -43.89 80.15 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.205 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 82' ' ' VAL . . . . . 0.473 HG23 ' O ' ' C' ' 78' ' ' LEU . 60.0 t -63.54 -43.04 98.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.057 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 40.3 ttt180 -60.39 -46.29 90.5 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 120.912 0.387 . . . . 0.0 110.249 -179.018 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 84' ' ' CYS . . . . . . . . . . . . . 89.7 m -66.98 -38.27 85.74 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.875 179.231 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 16.3 ttt -58.79 -40.5 84.2 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 -178.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 68.6 mttm . . . . . 0 C--N 1.332 -0.183 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.426 179.129 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.176 0 CA-C-O 120.751 0.31 . . . . 0.0 110.721 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 27.4 ttt -61.78 -46.54 89.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.708 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 154' ' ' MET . . . . . . . . . . . . . 20.8 mmt -64.14 -40.13 95.51 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.813 0.34 . . . . 0.0 110.892 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 13.5 tm0? -60.81 -45.84 92.84 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.965 179.378 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.368 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.823 179.864 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.515 -0.366 0 CA-C-O 120.948 0.404 . . . . 0.0 109.949 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.29 -41.97 99.02 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.236 -0.586 . . . . 0.0 110.473 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 67.9 t -62.61 -47.99 90.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.865 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -68.54 -36.62 79.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.759 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -63.19 -38.23 90.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.581 -179.275 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 16.4 mt -55.98 147.39 19.87 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 71.7 p -73.72 165.29 25.37 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.582 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 56.8 mp0 -62.94 -38.31 90.53 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.206 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -64.61 -41.32 96.28 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.589 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -62.72 -43.64 98.27 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.095 0.474 . . . . 0.0 110.347 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -66.82 -37.61 84.84 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.425 178.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -60.32 -44.29 95.59 Favored 'General case' 0 N--CA 1.442 -0.853 0 C-N-CA 119.957 -0.697 . . . . 0.0 110.748 -179.465 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -63.43 -38.93 93.03 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.688 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -61.77 -43.39 98.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.285 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -62.78 -39.27 93.68 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.419 179.116 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.26 -43.78 95.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.492 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.58 -41.36 98.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.974 0.416 . . . . 0.0 109.997 179.197 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 24' ' ' PHE . . . . . 0.561 ' CD2' ' CE1' ' C' ' 74' ' ' PHE . 74.7 t80 -61.73 -44.53 96.74 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.397 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -59.81 -40.85 89.78 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.557 -179.296 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 96.7 mt -71.04 -40.92 76.43 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 CA-C-O 120.988 0.423 . . . . 0.0 110.689 179.02 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 27' ' ' PHE . . . . . 0.43 ' HB3' HD11 ' C' ' 36' ' ' ILE . 0.9 OUTLIER -55.62 -38.5 69.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 35.9 m -80.82 23.58 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.952 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 1.7 pp -45.03 -39.72 5.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.009 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . -113.86 29.09 8.0 Favored Glycine 0 CA--C 1.531 1.04 0 C-N-CA 121.393 -0.432 . . . . 0.0 112.104 -179.036 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -130.83 95.86 3.94 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 117.229 0.515 . . . . 0.0 110.395 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -72.99 -14.5 61.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.058 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -73.23 -18.42 61.24 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.654 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.98 14.63 71.88 Favored Glycine 0 CA--C 1.523 0.589 0 C-N-CA 120.473 -0.87 . . . . 0.0 110.961 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 35' ' ' CYS . . . . . . . . . . . . . 21.5 p -128.47 168.32 15.81 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.755 0.312 . . . . 0.0 110.285 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 36' ' ' ILE . . . . . 0.43 HD11 ' HB3' ' C' ' 27' ' ' PHE . 6.2 mm -119.84 132.24 70.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 121.325 0.583 . . . . 0.0 111.032 -179.424 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 5.5 t -133.08 -165.28 1.59 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.347 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 73.2 p -64.07 -33.44 75.76 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 -179.401 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -61.53 -52.32 64.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.947 0.403 . . . . 0.0 110.813 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -63.59 -38.87 92.78 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.151 -0.62 . . . . 0.0 110.386 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.59 -39.52 93.99 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.509 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.58 -40.39 98.66 Favored Glycine 0 CA--C 1.525 0.683 0 C-N-CA 120.612 -0.804 . . . . 0.0 111.205 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -64.33 -40.49 95.99 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.272 0.558 . . . . 0.0 110.442 -179.39 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 77.0 t -67.23 -40.39 84.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.691 179.32 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 45' ' ' MET . . . . . 0.548 ' SD ' HD21 ' C' ' 57' ' ' LEU . 18.3 mtt -58.33 -31.14 67.28 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.856 -178.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -58.27 -37.69 75.48 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.102 -0.639 . . . . 0.0 109.657 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 28.0 ttt -67.14 -32.49 73.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.723 178.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 90.7 mt -80.74 -10.95 59.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.715 -179.406 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.64 30.31 40.35 Favored Glycine 0 CA--C 1.526 0.736 0 C-N-CA 120.768 -0.73 . . . . 0.0 111.444 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 76.2 mm-40 -124.63 143.87 50.48 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.93 0.395 . . . . 0.0 110.764 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -146.9 71.7 12.37 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.734 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -76.88 -167.94 0.52 Allowed 'Trans proline' 0 C--N 1.307 -1.619 0 C-N-CA 122.955 2.437 . . . . 0.0 112.002 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 1.2 p -94.9 155.74 38.82 Favored Pre-proline 0 C--N 1.323 -0.575 0 C-N-CA 120.349 -0.541 . . . . 0.0 111.443 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -55.13 -33.64 84.71 Favored 'Trans proline' 0 N--CA 1.498 1.778 0 C-N-CA 121.886 1.724 . . . . 0.0 112.399 179.049 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -63.12 -39.8 95.75 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 121.147 0.498 . . . . 0.0 110.514 -178.362 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -66.72 -41.23 88.27 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.156 -0.929 . . . . 0.0 109.65 -179.219 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 57' ' ' LEU . . . . . 0.548 HD21 ' SD ' ' C' ' 45' ' ' MET . 84.1 mt -64.02 -40.22 95.84 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.953 -1.022 . . . . 0.0 110.7 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 10.6 tp-100 -65.82 -42.5 90.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.037 -179.174 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -65.47 -38.93 91.24 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.023 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 4.9 mmm -58.17 -46.66 85.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.471 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.77 -39.21 84.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.552 179.481 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -59.3 -38.07 79.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.218 -179.253 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -60.09 -43.75 95.29 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.824 -0.35 . . . . 0.0 111.203 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 10.0 p -87.07 -30.82 5.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.035 0.445 . . . . 0.0 111.054 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 65' ' ' ASP . . . . . 0.475 ' OD2' ' N ' ' C' ' 69' ' ' SER . 64.4 t0 -83.35 109.41 17.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.831 -179.194 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -66.71 -41.25 88.27 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.067 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 67' ' ' ASP . . . . . 0.436 ' OD1' ' OD1' ' C' ' 65' ' ' ASP . 1.8 p30 -76.02 -13.5 60.23 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 120.665 -0.414 . . . . 0.0 111.158 -179.34 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 66.0 21.73 69.94 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 110.636 -0.986 . . . . 0.0 110.636 178.752 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 69' ' ' SER . . . . . 0.475 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 88.5 p -60.05 -20.74 59.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.767 0.318 . . . . 0.0 110.571 -179.204 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.31 3.18 90.19 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 179.575 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 82.3 p -128.12 157.15 41.55 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 47.6 t -116.43 126.03 73.71 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -100.85 -174.34 2.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.197 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 74' ' ' PHE . . . . . 0.561 ' CE1' ' CD2' ' C' ' 24' ' ' PHE . 23.3 m-85 -60.03 -46.84 88.19 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.233 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 75' ' ' ASP . . . . . 0.481 ' O ' HG23 ' C' ' 79' ' ' VAL . 5.9 m-20 -63.58 -43.77 96.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.069 0.461 . . . . 0.0 110.588 179.609 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -66.97 -39.03 87.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.826 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 77' ' ' PHE . . . . . 0.553 ' CD2' HD12 ' C' ' 78' ' ' LEU . 2.6 t80 -58.31 -49.12 78.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.727 179.336 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 78' ' ' LEU . . . . . 0.553 HD12 ' CD2' ' C' ' 77' ' ' PHE . 6.5 mp -64.49 -41.04 96.7 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.33 -0.548 . . . . 0.0 110.553 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 79' ' ' VAL . . . . . 0.481 HG23 ' O ' ' C' ' 75' ' ' ASP . 75.2 t -65.38 -38.74 83.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.24 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 12.7 tmm? -62.32 -41.67 98.74 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.192 0.52 . . . . 0.0 110.013 -179.385 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 81' ' ' MET . . . . . 0.43 ' C ' ' SD ' ' C' ' 81' ' ' MET . 1.5 tmt? -63.45 -48.09 79.17 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.561 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 75.1 t -68.1 -41.46 84.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.74 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 76.5 ttt-85 -59.31 -44.58 92.53 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.965 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 84' ' ' CYS . . . . . 0.558 ' SG ' ' N ' ' C' ' 85' ' ' MET . 9.6 p -65.19 -39.62 93.12 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.105 -179.604 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 85' ' ' MET . . . . . 0.558 ' N ' ' SG ' ' C' ' 84' ' ' CYS . 16.3 tpt -67.88 -42.1 81.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.781 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 64.4 tttm . . . . . 0 N--CA 1.45 -0.436 0 CA-C-O 120.942 0.401 . . . . 0.0 110.532 -179.615 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.533 0.206 . . . . 0.0 110.496 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 59.6 mtt -62.09 -44.15 97.3 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.913 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 154' ' ' MET . . . . . 0.575 ' N ' ' SD ' ' I' ' 154' ' ' MET . 0.0 OUTLIER -64.47 -42.97 95.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.854 0.359 . . . . 0.0 110.777 179.668 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -66.75 -40.99 88.5 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.446 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.188 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.736 179.759 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.535 0 N-CA-C 110.374 -0.232 . . . . 0.0 110.374 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.55 -44.09 95.17 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 119.788 -0.765 . . . . 0.0 110.12 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 65.5 t -67.81 -47.0 81.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.14 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 72.6 tt0 -61.6 -33.1 73.32 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.32 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 43.2 tp60 -60.48 -35.92 77.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.084 -179.358 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 12' ' ' LEU . . . . . 0.412 ' CB ' ' HZ3' ' C' ' 17' ' ' LYS . 5.7 mp -50.24 170.69 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.439 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 59.0 p -99.05 163.53 12.54 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.222 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.54 -39.02 92.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.727 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -67.24 -45.02 77.99 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.634 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -61.52 -42.04 98.21 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 17' ' ' LYS . . . . . 0.412 ' HZ3' ' CB ' ' C' ' 12' ' ' LEU . 17.6 mtmm -64.75 -37.64 88.28 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.058 178.765 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -60.79 -43.51 98.02 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 119.623 -0.831 . . . . 0.0 110.688 -178.667 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -65.43 -38.67 90.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.138 0.494 . . . . 0.0 110.73 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -62.87 -41.34 99.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.551 -179.207 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 5.4 tttp -62.22 -39.98 94.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.112 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.86 -41.24 95.5 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.548 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.01 -39.29 91.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.267 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 24' ' ' PHE . . . . . 0.621 ' CD2' ' CE1' ' C' ' 74' ' ' PHE . 82.2 t80 -58.74 -46.22 87.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.091 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -58.42 -45.17 88.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.403 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.59 -41.9 91.73 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 CA-C-O 121.078 0.466 . . . . 0.0 110.471 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -53.0 -39.43 63.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.829 -179.569 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 28' ' ' VAL . . . . . 0.566 ' HB ' ' HB3' ' C' ' 31' ' ' ALA . 27.3 m -84.3 25.25 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.08 -179.418 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 29' ' ' LEU . . . . . 0.425 HD12 ' N ' ' C' ' 30' ' ' GLY . 1.7 pp -42.44 -42.19 3.17 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.509 179.491 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 30' ' ' GLY . . . . . 0.425 ' N ' HD12 ' C' ' 29' ' ' LEU . . . -105.47 15.84 45.51 Favored Glycine 0 CA--C 1.53 1.017 0 C-N-CA 121.25 -0.5 . . . . 0.0 112.421 -179.204 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 31' ' ' ALA . . . . . 0.566 ' HB3' ' HB ' ' C' ' 28' ' ' VAL . . . -117.46 102.68 9.41 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 117.307 0.553 . . . . 0.0 111.305 -179.338 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -71.39 -20.34 62.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.463 179.284 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -70.46 -19.25 62.98 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.491 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.77 11.15 82.11 Favored Glycine 0 CA--C 1.521 0.429 0 N-CA-C 110.601 -0.999 . . . . 0.0 110.601 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 35' ' ' CYS . . . . . . . . . . . . . 79.3 m -119.54 147.05 44.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.946 0.403 . . . . 0.0 110.649 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 96.7 mt -94.22 127.05 46.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.066 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 22.2 t -136.43 -164.87 1.63 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.153 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 73.2 p -63.64 -29.74 70.94 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.496 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 64.8 mmtt -62.22 -47.24 85.3 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.007 0.432 . . . . 0.0 110.763 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -68.49 -40.38 80.92 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 121.24 0.543 . . . . 0.0 110.306 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 1.6 mp -67.7 -34.91 77.81 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.025 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.44 -41.28 99.5 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -66.33 -40.96 90.22 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-O 121.265 0.555 . . . . 0.0 110.346 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 54.6 t -62.12 -45.34 98.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.743 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 19.8 mmt -61.57 -40.54 95.11 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.748 -179.178 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -62.99 -41.03 99.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.523 -179.384 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 61.0 ttp -62.23 -38.14 88.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.156 0.503 . . . . 0.0 110.238 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 89.6 mt -64.56 -17.69 64.17 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.514 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 93.47 14.76 52.77 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 26.4 mm100 -105.32 145.91 30.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.763 0.316 . . . . 0.0 110.158 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -134.89 66.64 68.98 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.542 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_endo -77.36 -171.56 1.2 Allowed 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 123.198 2.599 . . . . 0.0 111.934 179.388 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.02 153.66 41.8 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.059 -179.504 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -60.24 -28.99 88.01 Favored 'Trans proline' 0 N--CA 1.5 1.898 0 C-N-CA 122.762 2.308 . . . . 0.0 112.844 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -61.81 -37.24 83.69 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.374 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -66.28 -40.16 89.87 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.183 -179.269 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 57' ' ' LEU . . . . . 0.45 HD12 ' N ' ' C' ' 57' ' ' LEU . 11.0 mp -60.72 -41.85 96.12 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.157 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -67.29 -41.05 86.08 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.059 -0.656 . . . . 0.0 110.176 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -61.9 -39.98 93.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.04 -179.454 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 17.0 tpt -61.02 -46.21 91.68 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 96.4 mt -68.43 -39.67 81.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.681 179.298 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 62' ' ' ASP . . . . . 0.415 ' OD1' ' O ' ' C' ' 62' ' ' ASP . 65.2 t0 -55.71 -35.97 66.69 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.078 -179.141 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -57.11 -29.82 63.86 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.133 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 15.5 t -106.66 -30.97 2.56 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 65' ' ' ASP . . . . . 0.541 ' OD2' ' N ' ' C' ' 71' ' ' THR . 9.1 m-20 -81.44 91.58 6.33 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 121.093 0.473 . . . . 0.0 111.081 -179.511 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -63.95 -37.42 87.36 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.421 179.314 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 57.7 p30 -74.67 -11.41 60.17 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.005 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 69.57 14.96 70.3 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 110.756 -0.937 . . . . 0.0 110.756 179.181 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 96.9 p -61.82 -21.67 64.83 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 121.0 -0.28 . . . . 0.0 110.826 -179.302 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 79.97 12.34 83.5 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 71' ' ' THR . . . . . 0.541 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 60.4 p -128.4 154.05 46.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.887 0.375 . . . . 0.0 110.736 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 71.3 t -120.82 124.64 72.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.592 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -102.21 -172.05 2.07 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.354 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 74' ' ' PHE . . . . . 0.621 ' CE1' ' CD2' ' C' ' 24' ' ' PHE . 49.5 m-85 -60.17 -43.32 95.91 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.666 -0.414 . . . . 0.0 111.053 -179.701 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -64.35 -50.98 65.61 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.941 0.401 . . . . 0.0 110.809 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.87 -37.98 87.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.354 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -57.07 -48.36 78.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.935 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 90.1 mt -62.74 -40.75 98.19 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.251 -0.58 . . . . 0.0 110.302 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 67.2 t -65.55 -40.1 87.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.429 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 15.6 tmm? -62.57 -40.59 97.34 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-O 121.343 0.592 . . . . 0.0 110.049 -179.31 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 8.4 tpt -65.75 -45.01 84.21 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.451 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 63.9 t -64.8 -42.83 95.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.734 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 58.7 ttt85 -60.51 -43.65 96.84 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 121.018 0.437 . . . . 0.0 110.206 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 84' ' ' CYS . . . . . . . . . . . . . 89.3 m -62.78 -39.9 95.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.666 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 13.3 tpt -60.5 -42.61 96.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.647 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt . . . . . 0 C--N 1.332 -0.169 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.572 179.815 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.117 0 CA-C-O 120.87 0.366 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 14.6 tpt -60.91 -46.67 89.75 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 121.216 0.532 . . . . 0.0 110.478 -179.345 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 154' ' ' MET . . . . . . . . . . . . . 21.6 mmt -63.57 -41.11 98.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.234 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -65.18 -39.05 92.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.848 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.278 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.206 -179.508 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 -0.256 0 CA-C-O 120.664 0.268 . . . . 0.0 110.6 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.76 -43.4 98.9 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.031 -0.668 . . . . 0.0 110.08 -179.692 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 56.0 t -61.52 -47.54 92.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.252 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -65.83 -33.73 76.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.234 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -61.35 -36.62 80.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.258 -179.203 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 93.5 mt -39.58 147.71 0.08 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.039 0.447 . . . . 0.0 110.898 179.56 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 13' ' ' THR . . . . . 0.45 ' OG1' ' OE1' ' C' ' 16' ' ' GLN . 70.3 p -76.11 168.83 19.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.907 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -61.63 -28.9 69.7 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.619 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -71.54 -48.17 50.33 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.912 179.18 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 16' ' ' GLN . . . . . 0.45 ' OE1' ' OG1' ' C' ' 13' ' ' THR . 7.0 mp0 -61.8 -33.52 74.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.14 179.411 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.1 -41.59 34.7 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.95 178.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -64.7 -41.42 96.03 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.058 -0.657 . . . . 0.0 111.288 -179.249 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 19' ' ' GLU . . . . . 0.43 ' CD ' ' N ' ' C' ' 20' ' ' PHE . 3.0 pp20? -70.21 -38.75 75.35 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.293 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 20' ' ' PHE . . . . . 0.481 ' CD1' ' C ' ' C' ' 20' ' ' PHE . 0.0 OUTLIER -54.23 -51.26 65.02 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.691 179.351 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 21' ' ' LYS . . . . . 0.401 ' N ' ' CG ' ' C' ' 20' ' ' PHE . 13.0 tttm -59.45 -48.01 83.3 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.565 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.26 -41.41 99.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.077 0.465 . . . . 0.0 110.402 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.62 -39.73 94.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.782 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 24' ' ' PHE . . . . . 0.619 ' CD2' ' CE1' ' C' ' 74' ' ' PHE . 50.5 t80 -60.82 -42.55 97.91 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.148 -179.3 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -59.95 -44.4 94.43 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.961 0.41 . . . . 0.0 110.416 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 97.3 mt -67.34 -41.55 86.52 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.635 0 CA-C-O 121.259 0.552 . . . . 0.0 110.265 178.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.51 -41.16 76.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.805 -179.649 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 28' ' ' VAL . . . . . 0.48 ' HB ' ' HB3' ' C' ' 31' ' ' ALA . 26.4 m -89.46 28.61 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.046 -179.467 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 2.1 pp -43.06 -41.77 3.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.22 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . -107.1 15.55 39.69 Favored Glycine 0 CA--C 1.525 0.676 0 C-N-CA 121.376 -0.44 . . . . 0.0 112.075 -178.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 31' ' ' ALA . . . . . 0.48 ' HB3' ' HB ' ' C' ' 28' ' ' VAL . . . -125.01 86.08 2.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.32 0.581 . . . . 0.0 110.44 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -65.5 -22.91 66.78 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.305 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -69.96 -17.6 63.32 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.383 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 84.57 18.33 62.22 Favored Glycine 0 CA--C 1.52 0.347 0 N-CA-C 110.759 -0.936 . . . . 0.0 110.759 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 35' ' ' CYS . . . . . . . . . . . . . 74.6 m -118.61 143.34 46.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.674 0.273 . . . . 0.0 110.298 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 65.8 mt -114.72 123.86 70.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.847 -179.344 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 2.1 m -134.29 -167.82 2.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.829 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 67.6 p -64.76 -27.03 68.62 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.4 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 39' ' ' LYS . . . . . 0.435 ' CG ' ' N ' ' C' ' 40' ' ' GLU . 54.9 pttt -62.74 -40.75 98.21 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.846 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 40' ' ' GLU . . . . . 0.435 ' N ' ' CG ' ' C' ' 39' ' ' LYS . 0.7 OUTLIER -84.31 -38.19 20.72 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.017 0.436 . . . . 0.0 110.537 179.642 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.05 -24.23 62.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.194 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.14 -34.8 81.31 Favored Glycine 0 CA--C 1.529 0.915 0 N-CA-C 110.56 -1.016 . . . . 0.0 110.56 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -84.7 -35.85 22.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.011 0.434 . . . . 0.0 110.82 179.682 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 79.9 t -62.52 -45.23 99.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.723 -179.605 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 20.6 ptt? -64.87 -32.36 74.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.137 -179.052 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 9.5 tmm_? -61.01 -45.13 96.04 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.273 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 59.9 ttm -61.34 -40.91 96.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.107 0.479 . . . . 0.0 109.959 179.327 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 96.3 mt -68.86 -8.64 45.71 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.737 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.98 24.35 64.43 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 60.8 mm-40 -115.86 133.15 56.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.836 0.35 . . . . 0.0 110.566 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 33.2 m120 -130.23 68.21 80.84 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.107 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -73.78 -171.07 0.78 Allowed 'Trans proline' 0 C--N 1.307 -1.605 0 C-N-CA 122.803 2.335 . . . . 0.0 111.534 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 1.2 p -94.96 156.68 37.7 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.194 -179.584 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -52.92 -38.47 79.26 Favored 'Trans proline' 0 N--CA 1.503 2.056 0 C-N-CA 122.227 1.951 . . . . 0.0 113.131 179.411 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -62.52 -37.91 87.91 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-O 121.275 0.56 . . . . 0.0 111.101 -178.524 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -65.93 -41.88 90.81 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.87 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 96.1 mt -62.82 -40.44 97.38 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.085 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -64.93 -43.11 93.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.27 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -65.26 -37.93 88.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.012 179.589 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 67.5 mtp -59.62 -44.72 93.36 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.441 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 61' ' ' ILE . . . . . 0.419 HG21 ' C ' ' C' ' 70' ' ' GLY . 97.1 mt -70.83 -42.17 77.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.663 179.166 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -57.11 -37.04 71.39 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.216 -179.129 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -62.42 -41.74 98.92 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 33.3 m -97.29 -12.41 8.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 C-N-CA 120.547 -0.461 . . . . 0.0 111.382 -179.044 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 65' ' ' ASP . . . . . 0.586 ' CG ' ' H ' ' C' ' 68' ' ' GLY . 66.4 t0 -75.52 127.06 32.26 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.892 0.377 . . . . 0.0 110.756 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -79.43 -27.6 41.7 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.022 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.19 -11.47 17.24 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.486 -179.554 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 68' ' ' GLY . . . . . 0.586 ' H ' ' CG ' ' C' ' 65' ' ' ASP . . . 69.09 15.09 69.25 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.616 -0.994 . . . . 0.0 110.616 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 69' ' ' SER . . . . . 0.529 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 90.3 p -62.36 -20.31 64.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.677 0.275 . . . . 0.0 110.663 -179.498 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 70' ' ' GLY . . . . . 0.419 ' C ' HG21 ' C' ' 61' ' ' ILE . . . 91.75 7.96 64.14 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.728 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 72.4 p -129.67 155.48 45.79 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.745 0.307 . . . . 0.0 110.524 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 72.8 t -122.17 123.26 68.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.563 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 73' ' ' ASP . . . . . 0.41 ' H ' ' HB2' ' C' ' 76' ' ' GLU . 2.9 t0 -106.83 -167.52 1.29 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.012 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 74' ' ' PHE . . . . . 0.619 ' CE1' ' CD2' ' C' ' 24' ' ' PHE . 38.1 m-85 -60.49 -47.75 84.79 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -179.354 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -64.37 -44.77 90.35 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.046 0.45 . . . . 0.0 111.064 -179.452 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 76' ' ' GLU . . . . . 0.41 ' HB2' ' H ' ' C' ' 73' ' ' ASP . 61.3 mt-10 -67.2 -39.62 86.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.297 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -59.92 -47.61 85.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.872 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 78' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' C' ' 78' ' ' LEU . 84.5 mt -62.21 -41.93 98.83 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.47 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 66.7 t -66.11 -40.43 87.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.357 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 14.7 tmm? -63.41 -39.68 95.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.226 0.536 . . . . 0.0 110.087 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -66.39 -48.0 71.51 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.259 -179.622 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 78.9 t -66.59 -40.7 86.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.035 179.685 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 50.3 ttt85 -59.65 -43.61 93.85 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 120.904 0.383 . . . . 0.0 110.275 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 84' ' ' CYS . . . . . . . . . . . . . 53.8 t -59.69 -48.86 80.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.525 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 27.0 ttt -63.68 -45.17 91.28 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.632 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 27.5 ttpp . . . . . 0 N--CA 1.451 -0.41 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.969 179.878 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.361 0 CA-C-O 120.7 0.286 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 2.9 ptt? -68.91 -34.66 75.76 Favored 'General case' 0 C--O 1.232 0.148 0 C-N-CA 120.33 -0.548 . . . . 0.0 109.956 -179.443 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 154' ' ' MET . . . . . . . . . . . . . 56.0 mtt -62.05 -41.62 98.33 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.441 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -63.64 -41.19 98.27 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.59 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 C-N-CA 120.341 -0.544 . . . . 0.0 110.93 -179.698 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 -0.251 0 CA-C-O 120.71 0.291 . . . . 0.0 110.753 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.43 -43.08 97.14 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.315 -0.554 . . . . 0.0 110.485 -178.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 54.5 t -64.74 -48.71 83.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.289 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.69 -32.4 73.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.423 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -60.39 -25.05 65.6 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.467 -179.279 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 90.3 mt -56.95 134.73 55.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.999 0.428 . . . . 0.0 110.494 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 66.2 p -78.83 167.46 21.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.407 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -61.12 -39.53 90.35 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.968 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 60.8 mp0 -66.03 -39.88 90.58 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.545 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 79.9 mm-40 -61.92 -42.03 98.63 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.3 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 43.1 mttp -66.74 -37.4 84.57 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.104 179.267 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -61.86 -41.0 97.29 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 119.846 -0.741 . . . . 0.0 110.535 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -63.76 -37.46 87.43 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.491 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -62.32 -41.7 98.76 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.097 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 21.1 ttmt -60.68 -41.61 95.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.699 178.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.62 -43.69 93.71 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.384 -0.526 . . . . 0.0 110.365 -179.293 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.37 -41.69 98.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.199 179.267 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -62.97 -42.12 99.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.609 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 25' ' ' ASP . . . . . 0.431 ' O ' HG22 ' C' ' 28' ' ' VAL . 46.1 t0 -59.77 -41.02 90.17 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.115 0.483 . . . . 0.0 110.218 -179.673 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 96.4 mt -73.19 -39.69 56.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.13 0.49 . . . . 0.0 110.232 178.67 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 27' ' ' PHE . . . . . 0.404 ' O ' ' OE2' ' C' ' 40' ' ' GLU . 0.5 OUTLIER -54.66 -37.55 65.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.94 -179.481 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 28' ' ' VAL . . . . . 0.431 HG22 ' O ' ' C' ' 25' ' ' ASP . 27.8 m -78.33 19.73 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.272 -179.588 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 29' ' ' LEU . . . . . 0.402 HD12 ' N ' ' C' ' 30' ' ' GLY . 2.4 pp -42.96 -39.82 2.74 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.101 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 30' ' ' GLY . . . . . 0.402 ' N ' HD12 ' C' ' 29' ' ' LEU . . . -114.34 27.3 9.05 Favored Glycine 0 CA--C 1.527 0.82 0 C-N-CA 121.385 -0.436 . . . . 0.0 112.077 -179.201 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 31' ' ' ALA . . . . . 0.475 ' N ' ' OE1' ' C' ' 40' ' ' GLU . . . -133.79 97.56 3.94 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 117.061 0.431 . . . . 0.0 110.769 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -71.85 -17.05 62.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.504 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -75.02 -16.41 60.61 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.754 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.25 19.03 63.33 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 35' ' ' CYS . . . . . 0.473 ' C ' HD13 ' C' ' 36' ' ' ILE . 30.7 p -138.52 157.83 45.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.927 0.394 . . . . 0.0 110.207 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 36' ' ' ILE . . . . . 0.552 HD13 ' N ' ' C' ' 36' ' ' ILE . 1.4 mm -99.79 129.92 49.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.987 0.422 . . . . 0.0 109.958 -179.304 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 39.2 t -138.39 178.95 6.76 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.734 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 68.4 p -58.28 -26.45 62.99 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.295 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 5.4 tmtp? -65.35 -57.1 9.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.501 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 40' ' ' GLU . . . . . 0.475 ' OE1' ' N ' ' C' ' 31' ' ' ALA . 34.2 tt0 -66.52 -39.73 88.8 Favored 'General case' 0 C--N 1.333 -0.123 0 C-N-CA 120.566 -0.454 . . . . 0.0 111.175 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 1.7 tp -57.26 -32.01 66.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.702 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.96 -39.96 97.75 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 -179.461 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp -71.61 -40.96 69.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.302 0.572 . . . . 0.0 110.542 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 74.9 t -64.57 -44.25 96.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.392 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 20.0 mmt -62.39 -39.39 93.04 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.794 -179.486 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 4.6 mtm180 -59.88 -41.06 90.75 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.524 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 16.1 tpt -62.72 -38.49 90.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.101 0.477 . . . . 0.0 110.24 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 96.4 mt -65.07 -23.14 67.08 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.506 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.92 20.62 10.41 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.286 -0.726 . . . . 0.0 111.286 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 28.6 mm100 -121.91 144.79 48.65 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.824 0.345 . . . . 0.0 110.443 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -130.21 70.29 82.18 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.478 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -75.48 -166.32 0.35 Allowed 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 122.927 2.418 . . . . 0.0 111.335 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 17.2 p -120.13 152.56 54.65 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.227 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -47.86 -39.73 31.88 Favored 'Trans proline' 0 N--CA 1.496 1.663 0 C-N-CA 122.036 1.824 . . . . 0.0 112.371 179.124 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 55' ' ' GLU . . . . . 0.405 ' HG2' ' H ' ' C' ' 55' ' ' GLU . 1.2 pt-20 -61.18 -42.91 99.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.968 0.413 . . . . 0.0 111.174 -179.614 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -64.88 -41.36 95.7 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.429 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 89.7 mt -66.97 -38.92 86.96 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.207 -179.367 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.15 -40.86 97.07 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.403 -179.719 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.79 -43.97 97.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.922 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 60.6 mtt -62.89 -43.67 98.18 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.05 0.452 . . . . 0.0 110.466 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 92.2 mt -65.08 -39.06 84.36 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.735 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -58.46 -40.89 83.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.351 -179.136 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -64.43 -41.43 96.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.957 0.408 . . . . 0.0 110.58 178.698 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 96.7 t -76.73 -33.01 21.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.858 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 65' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -84.86 120.26 26.26 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.93 0.395 . . . . 0.0 111.015 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 25.9 pt-20 -78.14 -20.97 51.0 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.601 179.272 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 45.7 p30 -98.51 -8.89 25.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.274 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 67.29 20.74 71.62 Favored Glycine 0 CA--C 1.52 0.387 0 N-CA-C 110.527 -1.029 . . . . 0.0 110.527 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 92.2 p -59.09 -33.14 70.48 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.82 -179.337 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 95.87 -0.13 62.49 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 72.6 p -136.74 161.22 36.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.67 0.271 . . . . 0.0 110.632 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 95.5 t -111.41 119.43 59.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.363 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 56.4 p30 -98.22 -172.3 2.32 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.462 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.8 -51.47 68.83 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.683 -179.655 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -61.99 -45.51 93.32 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.233 -179.321 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -68.31 -31.28 70.59 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.521 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -65.46 -46.71 78.78 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.8 178.419 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.99 -49.26 78.36 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.605 -178.753 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 35.7 m -67.26 -30.11 48.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.1 -179.513 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 80' ' ' MET . . . . . 0.424 ' O ' ' SG ' ' C' ' 84' ' ' CYS . 65.4 ttp -63.55 -42.36 98.37 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 17.4 tpt -66.36 -46.29 77.24 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.773 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 75.9 t -64.57 -46.72 91.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.136 -179.534 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -63.39 -41.04 98.75 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.686 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 84' ' ' CYS . . . . . 0.424 ' SG ' ' O ' ' C' ' 80' ' ' MET . 96.1 m -65.19 -40.42 94.2 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.677 179.631 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 27.9 ttt -60.8 -48.62 80.96 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.851 -179.489 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 13.6 pttp . . . . . 0 C--N 1.332 -0.191 0 CA-C-O 120.954 0.407 . . . . 0.0 110.63 -179.906 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.178 0 CA-C-O 120.854 0.359 . . . . 0.0 110.477 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 5.9 tpt -62.17 -44.54 96.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.306 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 154' ' ' MET . . . . . . . . . . . . . 32.4 mmt -64.23 -38.82 92.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.767 179.358 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -60.26 -43.16 96.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.243 -179.308 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.515 179.516 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 7' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' C' ' 11' ' ' GLN . . . . . . . . 0 C--O 1.223 -0.296 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.21 -40.53 90.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.053 0.454 . . . . 0.0 110.315 -179.275 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 54.6 t -61.42 -45.44 98.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.492 179.2 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -75.75 -31.89 59.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.678 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 11' ' ' GLN . . . . . 0.452 ' O ' ' C ' ' C' ' 12' ' ' LEU . 41.1 tp60 -63.15 -29.94 71.19 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.723 -178.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 12' ' ' LEU . . . . . 0.452 ' C ' ' O ' ' C' ' 11' ' ' GLN . 0.9 OUTLIER -31.84 133.77 0.09 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.966 0.413 . . . . 0.0 111.204 -179.275 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 71.6 p -77.93 165.51 24.01 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.621 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.61 -38.49 84.87 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.435 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -63.97 -44.03 93.97 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.787 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -63.29 -40.7 98.1 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.265 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 46.9 mttp -64.15 -39.4 93.93 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.408 179.515 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -62.6 -48.13 80.77 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 119.942 -0.703 . . . . 0.0 110.945 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.17 -38.63 91.76 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.632 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 20' ' ' PHE . . . . . 0.507 ' CD2' ' SD ' ' C' ' 81' ' ' MET . 3.7 m-30 -63.61 -43.04 98.06 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.995 -178.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 23.4 mtpp -64.15 -38.22 90.26 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.657 178.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.67 -44.59 93.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.902 0.382 . . . . 0.0 110.284 -179.232 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.6 -38.45 91.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.334 178.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 24' ' ' PHE . . . . . 0.488 ' CE2' ' CZ ' ' C' ' 74' ' ' PHE . 83.8 t80 -57.76 -46.19 84.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.062 -179.599 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -60.65 -39.9 90.01 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.971 0.415 . . . . 0.0 110.253 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 95.2 mt -68.51 -40.0 81.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.956 0.408 . . . . 0.0 110.864 179.143 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -58.14 -39.27 78.33 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.099 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 28' ' ' VAL . . . . . 0.45 ' C ' ' H ' ' C' ' 30' ' ' GLY . 28.9 m -79.89 19.38 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 120.912 -0.315 . . . . 0.0 111.09 -179.52 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 29' ' ' LEU . . . . . 0.666 HD12 ' N ' ' C' ' 30' ' ' GLY . 3.1 pp -55.51 -7.94 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.655 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 30' ' ' GLY . . . . . 0.666 ' N ' HD12 ' C' ' 29' ' ' LEU . . . -119.78 6.52 12.37 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -179.545 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -130.71 126.96 37.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.886 0.374 . . . . 0.0 110.535 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 32' ' ' GLU . . . . . 0.4 ' OE1' ' N ' ' C' ' 32' ' ' GLU . 47.2 mp0 -85.32 -21.43 28.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.607 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -75.31 -18.67 59.98 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.502 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.16 6.0 63.44 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 35' ' ' CYS . . . . . . . . . . . . . 84.9 m -104.99 149.89 25.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.603 0.239 . . . . 0.0 110.491 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 67.7 mt -101.67 121.11 52.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 50.0 m -116.22 -167.24 1.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.152 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 40.3 p -62.08 -30.92 71.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.593 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -61.58 -47.7 84.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.014 0.435 . . . . 0.0 110.817 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 36.0 mp0 -64.01 -40.75 97.04 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.537 0.684 . . . . 0.0 110.296 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 41' ' ' LEU . . . . . 0.459 ' O ' ' SD ' ' C' ' 45' ' ' MET . 2.2 mm? -66.45 -33.41 75.63 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.983 179.296 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.73 -39.11 96.22 Favored Glycine 0 CA--C 1.52 0.374 0 N-CA-C 110.684 -0.966 . . . . 0.0 110.684 179.297 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -66.05 -40.25 90.79 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.192 0.52 . . . . 0.0 110.016 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 56.9 t -61.15 -44.75 98.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.374 179.304 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 45' ' ' MET . . . . . 0.607 ' SD ' ' N ' ' C' ' 45' ' ' MET . 0.0 OUTLIER -61.43 -39.94 92.65 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.734 -179.363 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 46.5 mtt-85 -60.5 -40.94 93.17 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.35 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 97.9 mtp -64.69 -37.0 86.11 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.58 179.236 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 48' ' ' LEU . . . . . 0.458 HD21 ' HG3' ' I' ' 153' ' ' MET . 96.0 mt -74.83 -5.77 45.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.457 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 82.94 20.51 61.01 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 -116.94 141.79 47.77 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.829 0.347 . . . . 0.0 110.357 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -133.69 74.54 70.04 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.374 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -78.3 -170.2 0.93 Allowed 'Trans proline' 0 C--N 1.306 -1.689 0 C-N-CA 122.966 2.444 . . . . 0.0 112.09 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 53' ' ' THR . . . . . 0.409 ' O ' ' HG3' ' C' ' 56' ' ' GLU . 0.8 OUTLIER -99.23 154.05 37.49 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.434 -179.627 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -64.07 -26.54 65.66 Favored 'Trans proline' 0 C--N 1.303 -1.846 0 C-N-CA 121.764 1.643 . . . . 0.0 112.609 179.42 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -64.35 -50.51 67.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.129 0.49 . . . . 0.0 111.173 -178.552 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 56' ' ' GLU . . . . . 0.409 ' HG3' ' O ' ' C' ' 53' ' ' THR . 0.0 OUTLIER -69.29 -32.09 71.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.089 -179.291 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 81.0 mt -64.03 -39.49 94.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.331 178.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 12.4 tp-100 -65.68 -40.22 92.12 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.218 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -61.82 -39.09 90.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.447 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 97.0 mtp -61.85 -41.45 97.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.43 179.636 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 61' ' ' ILE . . . . . 0.559 HG21 ' C ' ' C' ' 70' ' ' GLY . 88.5 mt -62.09 -43.05 97.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.092 179.547 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -61.35 -40.12 93.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.995 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.04 -45.58 92.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.864 -179.094 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 10.7 p -82.88 -30.53 8.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.789 0.328 . . . . 0.0 110.839 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 65' ' ' ASP . . . . . 0.501 ' OD2' ' N ' ' C' ' 69' ' ' SER . 64.3 t0 -80.93 109.22 15.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.069 0.462 . . . . 0.0 110.734 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -64.85 -40.42 95.12 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.556 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 67' ' ' ASP . . . . . 0.453 ' OD1' ' OD1' ' C' ' 65' ' ' ASP . 1.4 p30 -80.35 -14.39 58.39 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.984 -179.67 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 64.96 24.09 69.89 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 178.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 69' ' ' SER . . . . . 0.501 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 86.4 p -59.24 -20.39 53.73 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.732 -179.159 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 70' ' ' GLY . . . . . 0.559 ' C ' HG21 ' C' ' 61' ' ' ILE . . . 98.22 -6.59 61.69 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 66.2 p -136.17 161.92 34.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.629 0.252 . . . . 0.0 110.488 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 47.8 t -102.69 128.35 55.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -105.06 -169.85 1.67 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.13 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 74' ' ' PHE . . . . . 0.488 ' CZ ' ' CE2' ' C' ' 24' ' ' PHE . 47.2 m-85 -60.71 -45.75 93.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.43 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.69 -53.8 52.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.141 0.495 . . . . 0.0 111.341 -179.369 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 76' ' ' GLU . . . . . 0.451 ' OE2' ' OD1' ' C' ' 65' ' ' ASP . 94.2 mt-10 -64.83 -38.24 90.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.092 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -57.94 -46.37 85.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.803 179.11 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 76.5 mt -59.65 -41.84 91.45 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.331 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 66.1 t -66.23 -38.48 82.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.108 179.225 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 59.1 ttp -60.59 -41.66 95.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.107 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 81' ' ' MET . . . . . 0.507 ' SD ' ' CD2' ' C' ' 20' ' ' PHE . 1.0 OUTLIER -66.98 -47.45 71.52 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.82 -179.138 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 73.1 t -64.63 -43.65 96.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.577 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 59.2 ttt85 -61.27 -43.63 98.56 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 120.808 0.337 . . . . 0.0 110.833 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 84' ' ' CYS . . . . . . . . . . . . . 90.2 m -61.61 -41.57 97.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.159 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 47.3 tpp -63.03 -45.68 91.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.367 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 63.6 tttm . . . . . 0 N--CA 1.452 -0.36 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.446 -179.795 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.232 0 CA-C-O 120.754 0.311 . . . . 0.0 110.488 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' I' I ' 153' ' ' MET . . . . . 0.458 ' HG3' HD21 ' C' ' 48' ' ' LEU . 40.7 ttp -70.34 -43.16 70.8 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.616 179.762 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' I' I ' 154' ' ' MET . . . . . . . . . . . . . 4.5 tpp -61.83 -21.01 64.27 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.37 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -56.05 -41.25 74.75 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.628 -0.429 . . . . 0.0 109.864 -178.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 120.847 0.356 . . . . 0.0 110.455 178.868 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 -0.26 0 CA-C-O 120.671 0.272 . . . . 0.0 110.487 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.97 -42.9 99.64 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.123 -0.631 . . . . 0.0 109.897 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 54.1 t -61.91 -46.82 95.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.533 179.399 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -68.97 -29.5 67.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.189 179.415 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 11' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' C' ' 12' ' ' LEU . 50.5 tt0 -61.8 -37.84 85.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.679 -179.65 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 12' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' C' ' 11' ' ' GLN . 88.0 mt -38.34 142.01 0.21 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.915 0.388 . . . . 0.0 110.692 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 74.9 p -72.73 163.2 28.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.897 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 14' ' ' GLU . . . . . 0.407 ' O ' ' OD1' ' C' ' 18' ' ' ASN . 24.9 pt-20 -64.49 -34.17 77.59 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.75 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -66.32 -43.43 86.24 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.016 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -63.92 -41.4 97.66 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.039 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -63.98 -39.98 95.37 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.636 179.098 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 18' ' ' ASN . . . . . 0.407 ' OD1' ' O ' ' C' ' 14' ' ' GLU . 27.9 m120 -63.75 -39.18 93.65 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 119.781 -0.768 . . . . 0.0 111.158 -179.635 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -62.39 -41.06 98.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.882 0.372 . . . . 0.0 111.522 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -70.27 -37.21 74.83 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.405 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -58.83 -45.17 90.64 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.91 -42.99 99.73 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.404 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.01 -41.12 95.94 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.118 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 24' ' ' PHE . . . . . 0.48 ' CD1' ' CZ ' ' C' ' 74' ' ' PHE . 42.3 t80 -59.11 -44.71 92.0 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.385 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -58.94 -41.89 88.49 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.109 -178.556 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 26' ' ' ILE . . . . . 0.411 ' H ' HG12 ' C' ' 26' ' ' ILE . 17.1 pt -83.78 -20.98 8.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.972 179.508 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 27' ' ' PHE . . . . . 0.458 ' O ' ' OE2' ' C' ' 40' ' ' GLU . 0.5 OUTLIER -62.97 -41.65 99.6 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.195 -0.602 . . . . 0.0 109.69 179.246 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 14.1 m -73.2 18.86 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.67 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 29' ' ' LEU . . . . . 0.498 HD12 ' N ' ' C' ' 30' ' ' GLY . 2.3 pp -42.91 -44.53 4.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.781 0.324 . . . . 0.0 111.225 179.603 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 30' ' ' GLY . . . . . 0.498 ' N ' HD12 ' C' ' 29' ' ' LEU . . . -103.78 14.72 53.0 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.54 -0.624 . . . . 0.0 111.54 -179.378 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -120.99 97.71 5.66 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.153 0.501 . . . . 0.0 110.278 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -74.26 -12.42 60.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.994 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -79.84 -17.8 52.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.621 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.37 5.74 84.75 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 35' ' ' CYS . . . . . . . . . . . . . 80.3 m -126.94 151.65 48.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.683 0.277 . . . . 0.0 110.358 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 5.8 mm -86.09 120.35 35.81 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.189 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 40.2 m -129.36 -178.71 4.78 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.017 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 68.6 p -60.8 -29.56 69.53 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.877 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -62.57 -48.49 79.25 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.65 -0.42 . . . . 0.0 111.137 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 40' ' ' GLU . . . . . 0.458 ' OE2' ' O ' ' C' ' 27' ' ' PHE . 2.3 tt0 -70.69 -39.97 73.18 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-O 121.155 0.502 . . . . 0.0 111.159 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.33 -31.89 67.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.902 -179.221 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 42' ' ' GLY . . . . . 0.494 ' O ' ' NH1' ' C' ' 46' ' ' ARG . . . -61.71 -38.13 95.4 Favored Glycine 0 CA--C 1.527 0.838 0 N-CA-C 111.368 -0.693 . . . . 0.0 111.368 179.6 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.97 -41.49 74.38 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.343 0.592 . . . . 0.0 110.262 -179.142 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 69.2 t -62.71 -43.04 98.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.333 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 22.2 mmt -61.46 -40.02 92.98 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.154 -179.043 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 46' ' ' ARG . . . . . 0.494 ' NH1' ' O ' ' C' ' 42' ' ' GLY . 82.6 mtt85 -61.77 -39.85 93.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.792 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 21.0 ttt -64.1 -37.28 86.88 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.138 0.494 . . . . 0.0 110.086 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 96.1 mt -73.35 -9.08 58.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.618 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 88.52 16.37 58.75 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.291 -0.723 . . . . 0.0 111.291 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -104.15 150.51 24.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.831 0.348 . . . . 0.0 110.251 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 53.4 p30 -132.23 63.34 67.93 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.403 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -73.3 -170.5 0.66 Allowed 'Trans proline' 0 C--N 1.303 -1.844 0 C-N-CA 122.771 2.314 . . . . 0.0 111.796 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -119.23 154.14 53.6 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.241 -179.512 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo -63.39 -27.93 71.29 Favored 'Trans proline' 0 N--CA 1.494 1.552 0 C-N-CA 122.131 1.887 . . . . 0.0 112.66 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -63.96 -49.0 74.25 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.384 0.612 . . . . 0.0 111.068 -178.516 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -70.92 -34.63 71.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.166 -0.924 . . . . 0.0 110.422 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 77.4 mt -63.81 -39.64 94.73 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.925 179.132 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 22.0 tm0? -63.95 -42.94 97.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.625 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -62.23 -38.65 90.04 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.619 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 28.4 ttt -59.5 -46.68 88.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.327 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.76 -40.53 89.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.2 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -59.37 -32.62 70.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.003 -179.625 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -59.56 -43.52 93.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.893 -179.469 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 12.5 m -92.17 -28.71 4.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.593 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 65' ' ' ASP . . . . . 0.453 ' OD2' ' N ' ' C' ' 69' ' ' SER . 53.4 t0 -77.63 110.69 12.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.04 0.448 . . . . 0.0 110.386 -179.435 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 58.0 mp0 -67.02 -39.68 87.08 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.767 -179.672 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 67' ' ' ASP . . . . . 0.431 ' OD1' ' OD1' ' C' ' 65' ' ' ASP . 1.6 p30 -76.71 -13.47 60.04 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.923 -179.521 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 66.54 18.08 67.44 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.51 -1.036 . . . . 0.0 110.51 178.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 69' ' ' SER . . . . . 0.453 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 95.7 p -61.08 -21.5 63.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.686 0.279 . . . . 0.0 110.639 -179.214 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.01 11.24 79.27 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 73.0 p -133.9 157.16 46.68 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 30.6 t -121.93 123.64 69.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 57.2 p30 -97.44 -169.77 1.9 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.407 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 74' ' ' PHE . . . . . 0.48 ' CZ ' ' CD1' ' C' ' 24' ' ' PHE . 25.1 m-85 -60.11 -48.89 79.84 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.59 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -63.25 -45.14 92.93 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.301 -179.185 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.59 -36.36 80.75 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -57.6 -47.67 81.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.211 179.022 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -61.85 -39.29 91.33 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.14 -0.624 . . . . 0.0 110.368 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 53.8 t -62.83 -41.93 94.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.193 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 17.0 tmm? -70.14 -37.47 75.28 Favored 'General case' 0 C--N 1.313 -0.987 0 C-N-CA 120.332 -0.547 . . . . 0.0 109.952 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 10.6 tpt -64.71 -49.03 72.48 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.191 -178.693 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 82' ' ' VAL . . . . . 0.429 HG13 ' N ' ' C' ' 83' ' ' ARG . 5.3 p -67.59 -39.6 82.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.925 0.393 . . . . 0.0 110.295 -179.519 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 83' ' ' ARG . . . . . 0.429 ' N ' HG13 ' C' ' 82' ' ' VAL . 40.1 ttt180 -61.35 -41.01 96.36 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.494 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 84' ' ' CYS . . . . . . . . . . . . . 98.5 m -61.78 -41.5 97.79 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.56 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 88.7 mmm -62.98 -41.21 99.5 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.476 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 50.6 mtpt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.188 -179.909 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.719 0.295 . . . . 0.0 110.726 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 3.8 mmt -62.88 -45.01 94.55 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.978 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 154' ' ' MET . . . . . . . . . . . . . 91.3 mmm -70.88 -34.04 71.2 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.375 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -58.8 -46.64 87.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.28 -179.406 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.527 0 CA-C-O 121.036 0.446 . . . . 0.0 109.975 178.557 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 -0.35 0 CA-C-O 120.792 0.33 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.31 -42.6 99.5 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.172 -0.611 . . . . 0.0 110.373 -179.575 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 53.1 t -61.84 -47.89 91.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.156 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -70.12 -33.74 72.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.018 0.437 . . . . 0.0 110.603 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 20.1 tm0? -62.48 -39.26 92.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.181 -179.57 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 43.7 mt -58.73 145.91 38.61 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.943 0.401 . . . . 0.0 110.774 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 13' ' ' THR . . . . . 0.448 ' OG1' ' OE1' ' C' ' 16' ' ' GLN . 65.0 p -70.86 167.43 18.97 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.657 -179.52 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -62.46 -38.33 89.39 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.18 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.95 -45.85 91.89 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.752 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 16' ' ' GLN . . . . . 0.45 ' O ' ' CD2' ' C' ' 20' ' ' PHE . 4.2 mp0 -60.88 -43.45 98.44 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.534 -0.466 . . . . 0.0 110.156 179.417 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 14.6 mmmt -64.49 -40.21 95.24 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.544 179.294 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -63.9 -40.24 96.05 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 120.407 -0.517 . . . . 0.0 111.591 -179.663 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -61.9 -43.01 99.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.179 0.514 . . . . 0.0 111.099 -179.42 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 20' ' ' PHE . . . . . 0.45 ' CD2' ' O ' ' C' ' 16' ' ' GLN . 18.3 m-85 -70.6 -40.25 73.33 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.134 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -60.09 -40.7 90.48 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.942 179.328 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.73 -42.47 97.37 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.159 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.95 -40.04 94.19 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.314 179.416 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -59.58 -44.96 93.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.067 179.631 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -59.29 -39.74 83.94 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.908 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 95.4 mt -68.85 -40.71 81.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.909 0.385 . . . . 0.0 110.721 178.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -56.01 -39.8 72.45 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.629 -0.429 . . . . 0.0 111.262 -179.681 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 31.4 m -78.21 21.71 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.009 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 1.7 pp -45.55 -29.35 1.15 Allowed 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.824 179.435 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . -129.38 34.78 2.72 Favored Glycine 0 CA--C 1.528 0.896 0 C-N-CA 121.114 -0.565 . . . . 0.0 112.329 -179.105 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 31' ' ' ALA . . . . . 0.61 ' HB2' ' OE2' ' C' ' 40' ' ' GLU . . . -124.16 107.22 11.01 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.948 0.404 . . . . 0.0 110.984 179.636 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -71.74 -29.32 64.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.827 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 53.6 p-10 -71.93 -15.95 62.1 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.707 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 81.49 18.44 68.61 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 35' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -124.19 165.19 18.02 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.728 0.299 . . . . 0.0 110.461 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 87.8 mt -106.03 127.37 61.2 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.152 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 4.6 t -131.97 -165.47 1.59 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.045 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 77.3 p -65.97 -25.65 67.2 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.31 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -66.43 -50.68 62.57 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.189 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 40' ' ' GLU . . . . . 0.61 ' OE2' ' HB2' ' C' ' 31' ' ' ALA . 60.2 mp0 -66.24 -42.83 88.05 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 121.076 0.465 . . . . 0.0 110.95 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 18.8 mt -67.92 -36.25 79.86 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.259 179.413 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.12 -40.22 96.87 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -70.1 -40.52 74.89 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.099 0.476 . . . . 0.0 110.734 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 71.8 t -62.78 -46.53 96.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.843 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 76.2 mtp -63.85 -38.2 90.21 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 120.103 -0.639 . . . . 0.0 110.167 -179.016 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 24.7 tpt85 -59.77 -43.34 94.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.363 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 7.4 tpt -61.23 -38.14 85.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.981 0.42 . . . . 0.0 110.2 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 82.7 mt -64.92 -15.53 62.2 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.663 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 98.6 11.11 48.58 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -98.37 145.69 26.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.982 0.42 . . . . 0.0 110.579 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -129.88 68.91 81.37 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.278 179.576 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -75.68 -167.85 0.48 Allowed 'Trans proline' 0 C--N 1.307 -1.617 0 C-N-CA 122.939 2.426 . . . . 0.0 111.195 179.642 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 47.0 p -122.39 151.66 59.78 Favored Pre-proline 0 CA--C 1.535 0.377 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -49.1 -32.82 25.24 Favored 'Trans proline' 0 N--CA 1.496 1.644 0 C-N-CA 122.046 1.831 . . . . 0.0 112.606 179.299 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -62.68 -41.74 99.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.133 0.492 . . . . 0.0 110.46 -178.759 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -65.99 -45.2 82.47 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.629 -179.256 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 11.0 mp -65.2 -40.1 93.72 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.401 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -63.52 -43.93 95.73 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.578 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -65.77 -39.36 90.92 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.722 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 74.7 mtp -58.04 -46.63 85.03 Favored 'General case' 0 CA--C 1.516 -0.352 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.892 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 61' ' ' ILE . . . . . 0.478 HG21 ' C ' ' C' ' 70' ' ' GLY . 96.7 mt -66.73 -40.37 85.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 C-N-CA 120.135 -0.626 . . . . 0.0 110.716 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -59.51 -44.96 92.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.966 -179.218 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -63.69 -41.33 98.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.854 0.359 . . . . 0.0 110.899 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 90.9 t -78.9 -32.91 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.84 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 65' ' ' ASP . . . . . 0.532 ' OD2' ' N ' ' C' ' 69' ' ' SER . 49.2 t0 -85.5 113.83 22.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.677 -179.344 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -73.2 -35.84 66.43 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.703 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 67' ' ' ASP . . . . . 0.425 ' OD1' ' OD1' ' C' ' 65' ' ' ASP . 0.5 OUTLIER -76.74 -12.46 59.99 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.185 -179.69 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 67.71 19.33 71.14 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 110.751 -0.94 . . . . 0.0 110.751 179.309 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 69' ' ' SER . . . . . 0.532 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 90.5 p -60.51 -22.98 64.19 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.894 -179.298 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 70' ' ' GLY . . . . . 0.478 ' C ' HG21 ' C' ' 61' ' ' ILE . . . 86.09 2.8 85.65 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 62.8 p -133.57 164.26 27.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.722 0.296 . . . . 0.0 110.578 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 91.8 t -118.41 123.07 71.02 Favored 'Isoleucine or valine' 0 C--O 1.231 0.121 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.404 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 73' ' ' ASP . . . . . 0.448 ' CG ' ' H ' ' C' ' 74' ' ' PHE . 35.2 t0 -100.21 -173.69 2.49 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.249 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 74' ' ' PHE . . . . . 0.463 ' CZ ' HD11 ' C' ' 78' ' ' LEU . 88.2 t80 -59.21 -48.96 79.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.187 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.32 -44.77 95.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -68.33 -36.42 79.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.953 179.159 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -57.43 -47.95 80.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.433 179.465 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 78' ' ' LEU . . . . . 0.463 HD11 ' CZ ' ' C' ' 74' ' ' PHE . 25.1 mt -62.07 -40.71 96.73 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 119.979 -0.689 . . . . 0.0 110.39 179.359 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 2.1 t -68.02 -32.63 57.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.125 179.273 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 3.4 ttt -63.27 -39.37 94.4 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.432 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 4.2 mtp -80.68 -42.01 22.75 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.204 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 82' ' ' VAL . . . . . 0.404 HG23 ' O ' ' C' ' 78' ' ' LEU . 53.4 t -61.43 -40.79 87.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.457 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 7.8 tpt85 -57.7 -45.95 85.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.317 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 84' ' ' CYS . . . . . . . . . . . . . 97.7 m -61.13 -46.52 90.23 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.356 -0.538 . . . . 0.0 111.033 -179.261 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 61.1 mtt -69.53 -42.54 74.51 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.656 -0.418 . . . . 0.0 111.228 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 12.6 ttmt . . . . . 0 N--CA 1.447 -0.586 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 179.905 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.206 0 CA-C-O 121.131 0.491 . . . . 0.0 110.808 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 54.1 ttp -61.3 -43.05 99.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.131 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' I' I ' 154' ' ' MET . . . . . . . . . . . . . 59.5 tpp -62.15 -40.62 96.58 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -59.2 -43.46 92.23 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.548 -179.309 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.86 0 C-N-CA 119.818 -0.753 . . . . 0.0 110.965 -179.994 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.425 0 CA-C-O 120.795 0.331 . . . . 0.0 110.203 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.81 -41.53 91.44 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.777 0.322 . . . . 0.0 110.472 -179.219 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 55.6 t -63.68 -46.86 93.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.959 179.206 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 -71.65 -36.36 70.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.143 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -63.01 -39.22 94.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.03 -179.137 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 8.6 mt -43.43 132.15 4.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.664 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 82.0 p -70.37 165.41 22.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.733 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -63.41 -37.68 88.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.512 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -62.1 -44.96 95.53 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.358 -179.567 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -64.06 -41.16 97.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.471 179.123 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.73 -39.76 95.07 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.718 179.181 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -62.49 -40.01 95.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.615 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -61.57 -43.99 97.84 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.716 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -66.1 -39.05 89.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.506 179.294 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 56.8 tttm -60.4 -42.04 95.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.153 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.76 -40.82 93.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.178 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.75 -38.6 88.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.418 179.196 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -58.5 -46.44 86.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.185 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -60.14 -41.4 92.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.323 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 97.9 mt -69.47 -37.65 75.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.337 0.589 . . . . 0.0 110.211 178.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.56 -40.54 75.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.577 -178.566 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 29.2 m -82.06 23.19 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.085 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 29' ' ' LEU . . . . . 0.654 HD12 ' N ' ' C' ' 30' ' ' GLY . 3.8 pp -60.21 -10.34 4.41 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.49 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 30' ' ' GLY . . . . . 0.654 ' N ' HD12 ' C' ' 29' ' ' LEU . . . -125.17 15.03 7.36 Favored Glycine 0 CA--C 1.522 0.479 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.589 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 31' ' ' ALA . . . . . 0.4 ' CB ' ' O ' ' C' ' 35' ' ' CYS . . . -125.12 124.21 41.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.794 0.33 . . . . 0.0 110.616 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -86.5 -14.04 44.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.572 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -93.25 -7.48 44.96 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.587 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 81.07 17.13 72.87 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 35' ' ' CYS . . . . . 0.4 ' O ' ' CB ' ' C' ' 31' ' ' ALA . 31.3 p -112.58 158.22 20.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.746 0.308 . . . . 0.0 110.563 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 87.5 mt -110.87 123.2 66.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.411 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 52.5 p -125.88 -165.9 1.49 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.313 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 74.4 p -64.23 -33.38 75.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.027 0.441 . . . . 0.0 110.255 -179.547 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 53.3 mttp -64.06 -41.64 97.28 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.622 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.53 -46.44 63.62 Favored 'General case' 0 C--O 1.23 0.063 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.811 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 11.2 mt -64.12 -17.66 63.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.566 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.32 -37.43 93.06 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 51.4 mmtt -64.73 -39.61 93.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.976 0.417 . . . . 0.0 110.547 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 69.8 t -61.77 -41.85 92.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.099 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 34.0 mmt -60.48 -41.29 93.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.649 -179.518 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -61.78 -41.21 97.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.435 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 4.4 mmt -61.12 -33.22 73.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.774 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 96.6 mt -78.95 -5.31 53.46 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.618 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.3 20.87 71.4 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -115.96 143.61 45.21 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.782 0.325 . . . . 0.0 110.538 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -134.43 68.65 73.0 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.448 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -77.41 -168.15 0.56 Allowed 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 123.05 2.5 . . . . 0.0 112.268 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.77 155.97 41.27 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.776 -179.771 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -59.07 -29.14 89.78 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.707 2.271 . . . . 0.0 112.311 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -61.26 -37.74 84.21 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.116 0.484 . . . . 0.0 109.887 -179.334 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -64.87 -39.36 93.41 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.111 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 57' ' ' LEU . . . . . 0.502 HD22 ' N ' ' C' ' 57' ' ' LEU . 4.2 mm? -61.01 -39.99 91.85 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.792 179.472 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -63.66 -42.4 98.08 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.812 179.338 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.31 -40.99 96.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.345 -179.204 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 68.3 mtt -62.4 -42.99 99.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.559 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 61' ' ' ILE . . . . . 0.617 HG21 ' C ' ' C' ' 70' ' ' GLY . 97.1 mt -65.37 -44.72 94.56 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.258 0 CA-C-O 121.169 0.509 . . . . 0.0 110.364 179.697 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -60.97 -40.01 91.77 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.771 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -60.98 -46.02 92.44 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.113 -178.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 32.4 m -80.45 -31.06 12.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.852 -179.348 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 65' ' ' ASP . . . . . 0.482 ' OD2' HG22 ' C' ' 61' ' ' ILE . 69.6 m-20 -71.41 123.33 22.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.552 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -70.26 -39.65 74.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.443 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 58.3 p30 -89.76 -10.58 45.04 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.937 -179.548 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 66.13 25.1 72.14 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.684 -0.966 . . . . 0.0 110.684 179.586 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 83.0 p -55.77 -27.5 51.23 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.649 -179.033 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 70' ' ' GLY . . . . . 0.617 ' C ' HG21 ' C' ' 61' ' ' ILE . . . 101.06 2.4 54.79 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 179.509 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 56.9 p -137.04 162.24 33.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.62 0.248 . . . . 0.0 110.601 179.619 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 90.6 t -119.43 126.24 75.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.605 179.559 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -105.78 -169.64 1.62 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.713 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -59.79 -48.95 79.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.681 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -62.27 -51.03 69.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.926 0.393 . . . . 0.0 110.717 -179.391 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -64.45 -35.16 80.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.417 178.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -56.81 -47.66 79.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.316 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 74.0 mt -62.48 -39.08 92.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.552 178.776 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 72.3 t -65.27 -41.23 90.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.782 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 67.8 ttp -62.63 -40.48 97.12 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.369 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 6.8 mmt -67.06 -45.13 78.28 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.769 -179.577 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 72.7 t -68.13 -39.77 81.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.506 179.63 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -59.23 -44.88 92.31 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.472 -179.065 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 84' ' ' CYS . . . . . . . . . . . . . 97.3 m -63.13 -42.32 99.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.567 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 85.8 mtp -65.15 -42.12 94.06 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.738 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 2.8 mmtp . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.001 179.859 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.889 0.376 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 66.0 mtt -65.58 -40.34 92.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.496 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' I' I ' 154' ' ' MET . . . . . . . . . . . . . 21.8 mmt -61.81 -42.54 99.14 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.562 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 24.4 tm0? -66.79 -41.7 87.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.839 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.792 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.748 0.309 . . . . 0.0 110.369 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.8 -41.13 99.14 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.328 -179.49 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 9' ' ' VAL . . . . . 0.554 HG22 HG21 ' C' ' 82' ' ' VAL . 61.9 t -66.65 -41.85 88.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.69 -0.687 . . . . 0.0 111.197 179.749 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -72.76 -32.92 66.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.909 0.385 . . . . 0.0 110.489 -179.27 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 11' ' ' GLN . . . . . 0.435 ' O ' ' C ' ' C' ' 12' ' ' LEU . 6.5 tp-100 -61.85 -24.41 66.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.888 -179.044 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 12' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' C' ' 11' ' ' GLN . 1.8 mm? -33.33 145.7 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.877 0.37 . . . . 0.0 111.326 -179.212 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 71.5 p -78.09 160.03 28.32 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -65.4 -39.71 92.52 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.567 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -62.86 -43.61 98.34 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.832 -179.427 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -65.3 -39.29 92.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.079 0.466 . . . . 0.0 110.276 179.113 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.45 -38.82 81.47 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.527 179.725 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -63.46 -49.35 74.01 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.295 -0.562 . . . . 0.0 111.535 -179.107 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -66.63 -37.5 84.98 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.991 0.424 . . . . 0.0 110.597 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 20' ' ' PHE . . . . . 0.473 ' CD1' ' C ' ' C' ' 20' ' ' PHE . 0.2 OUTLIER -59.07 -51.93 67.93 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.713 179.297 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -54.66 -42.45 71.32 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.744 -0.383 . . . . 0.0 110.274 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.66 -41.58 97.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.144 0.497 . . . . 0.0 110.65 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.23 -39.21 89.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.087 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -61.99 -39.99 94.09 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.105 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -61.06 -39.25 89.15 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.543 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 1.4 mp -77.46 -38.26 26.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.942 0.401 . . . . 0.0 110.304 179.484 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.15 -36.58 73.22 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.791 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 23.6 m -83.79 23.05 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.845 -179.448 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 29' ' ' LEU . . . . . 0.434 HD12 ' N ' ' C' ' 30' ' ' GLY . 1.8 pp -44.03 -43.16 6.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 30' ' ' GLY . . . . . 0.434 ' N ' HD12 ' C' ' 29' ' ' LEU . . . -99.88 -26.85 8.2 Favored Glycine 0 CA--C 1.526 0.744 0 C-N-CA 120.992 -0.623 . . . . 0.0 111.637 -179.246 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 31' ' ' ALA . . . . . 0.491 ' N ' ' OE2' ' C' ' 40' ' ' GLU . . . -80.6 99.71 8.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.038 0.447 . . . . 0.0 110.638 -179.58 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -65.98 -34.73 78.78 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.246 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 57.6 p-10 -72.06 -13.09 61.5 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.832 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.62 20.27 56.64 Favored Glycine 0 CA--C 1.526 0.765 0 C-N-CA 120.519 -0.848 . . . . 0.0 111.445 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 35' ' ' CYS . . . . . 0.445 ' O ' ' CB ' ' C' ' 31' ' ' ALA . 79.7 m -110.74 139.98 45.54 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.702 0.287 . . . . 0.0 110.581 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 10.3 mm -95.22 133.29 36.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.845 0.355 . . . . 0.0 110.21 -179.428 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 22.8 t -134.29 -174.13 3.47 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.424 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 75.6 p -64.88 -25.57 67.95 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.193 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.19 -50.7 72.05 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.506 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 40' ' ' GLU . . . . . 0.491 ' OE2' ' N ' ' C' ' 31' ' ' ALA . 96.1 mt-10 -71.93 -37.08 70.09 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.423 0.63 . . . . 0.0 111.05 179.14 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 9.6 tp -56.87 -27.83 60.95 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.22 -179.103 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.07 -40.88 97.69 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -68.49 -38.82 81.34 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 121.218 0.532 . . . . 0.0 109.801 179.451 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 65.7 t -59.85 -44.3 93.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.072 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 23.5 mmt -62.12 -39.09 91.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.625 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.14 -42.27 94.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.453 -179.549 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 77.5 mtm -65.25 -36.44 84.12 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.189 0.519 . . . . 0.0 110.408 179.145 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 98.1 mt -72.42 -5.97 40.29 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.544 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.72 23.91 66.07 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -121.32 140.5 52.0 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.948 0.404 . . . . 0.0 110.532 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 61.6 t-20 -135.33 69.57 68.47 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.691 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -78.1 -167.95 0.55 Allowed 'Trans proline' 0 C--N 1.304 -1.803 0 C-N-CA 123.035 2.49 . . . . 0.0 112.154 179.489 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 3.3 p -98.8 152.71 37.95 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.388 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -48.77 -36.2 32.6 Favored 'Trans proline' 0 N--CA 1.498 1.744 0 C-N-CA 122.223 1.949 . . . . 0.0 112.444 179.547 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -58.32 -35.26 71.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.191 0.52 . . . . 0.0 110.832 -179.402 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 74.1 mt-10 -70.57 -39.82 73.69 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.025 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 57' ' ' LEU . . . . . 0.454 HD12 ' N ' ' C' ' 57' ' ' LEU . 11.2 mp -59.66 -43.44 93.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.639 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -64.33 -43.62 94.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.787 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 59' ' ' GLU . . . . . 0.431 ' O ' ' OD1' ' C' ' 62' ' ' ASP . 98.3 mt-10 -64.2 -39.16 93.39 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.728 179.577 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 60' ' ' MET . . . . . 0.464 ' SD ' ' O ' ' C' ' 60' ' ' MET . 0.0 OUTLIER -57.77 -44.61 86.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.263 -179.129 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 97.0 mt -69.29 -42.21 81.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.844 179.508 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 62' ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' C' ' 59' ' ' GLU . 0.0 OUTLIER -55.17 -29.67 58.3 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.057 -178.934 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -62.45 -41.58 98.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.968 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 64' ' ' VAL . . . . . 0.468 HG23 ' NH1' ' C' ' 83' ' ' ARG . 7.3 p -95.61 -31.25 4.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.857 0.36 . . . . 0.0 111.626 -179.608 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 65' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -69.07 115.61 8.57 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.04 0.448 . . . . 0.0 110.577 -178.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -81.47 -16.76 50.96 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.795 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -95.28 -13.38 24.89 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.599 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 69.11 13.73 67.43 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 179.495 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 91.9 p -64.11 -20.38 65.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.727 0.299 . . . . 0.0 110.818 -179.544 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 82.59 6.88 88.17 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 60.3 p -129.96 160.28 34.11 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.898 0.38 . . . . 0.0 110.591 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 57.4 t -122.16 123.0 67.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.658 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 73' ' ' ASP . . . . . 0.478 ' OD1' ' N ' ' C' ' 76' ' ' GLU . 51.2 p30 -90.31 -171.21 3.02 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.691 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -59.71 -48.94 79.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.099 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 75' ' ' ASP . . . . . 0.655 ' O ' HG13 ' C' ' 79' ' ' VAL . 45.9 m-20 -65.88 -56.1 13.57 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.54 -179.565 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 76' ' ' GLU . . . . . 0.478 ' N ' ' OD1' ' C' ' 73' ' ' ASP . 59.7 mt-10 -52.13 -29.44 21.91 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.107 0.48 . . . . 0.0 109.819 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -70.03 -43.7 70.77 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 119.834 -0.746 . . . . 0.0 109.768 178.586 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 33.9 tp -64.98 -45.07 87.21 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.199 -178.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 79' ' ' VAL . . . . . 0.655 HG13 ' O ' ' C' ' 75' ' ' ASP . 1.1 m -66.76 -27.59 40.41 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.269 -178.805 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 11.5 ttp -67.42 -41.18 85.25 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 81.4 mmm -63.26 -43.84 96.85 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.961 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 82' ' ' VAL . . . . . 0.554 HG21 HG22 ' C' ' 9' ' ' VAL . 93.8 t -66.98 -41.61 87.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.405 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 83' ' ' ARG . . . . . 0.468 ' NH1' HG23 ' C' ' 64' ' ' VAL . 74.3 mtp180 -60.38 -43.14 96.89 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.519 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 84' ' ' CYS . . . . . 0.537 ' SG ' ' N ' ' C' ' 85' ' ' MET . 11.1 p -67.01 -38.8 86.61 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.512 -179.302 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 85' ' ' MET . . . . . 0.537 ' N ' ' SG ' ' C' ' 84' ' ' CYS . 97.7 mtp -65.63 -41.38 92.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.714 179.448 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.515 -179.668 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.249 0 CA-C-O 120.839 0.352 . . . . 0.0 110.423 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 10.8 mtm -59.97 -41.43 91.94 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.711 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' I' I ' 154' ' ' MET . . . . . . . . . . . . . 64.8 mtt -65.93 -37.91 87.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.596 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -60.69 -43.79 97.31 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.338 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.416 0 CA-C-O 120.871 0.367 . . . . 0.0 110.656 179.786 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.444 0.164 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.06 -43.89 98.2 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.292 -0.563 . . . . 0.0 110.201 -179.433 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 53.6 t -64.12 -48.49 85.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.308 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -65.65 -33.11 75.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.709 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -61.34 -27.01 68.19 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.646 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 91.2 mt -53.59 135.64 40.08 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.24 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 13' ' ' THR . . . . . 0.457 ' OG1' ' OE1' ' C' ' 16' ' ' GLN . 70.6 p -78.34 170.9 15.88 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.541 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 58.5 mp0 -60.35 -38.99 85.56 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.681 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -65.11 -43.92 90.43 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.628 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 16' ' ' GLN . . . . . 0.463 ' OE1' ' N ' ' C' ' 16' ' ' GLN . 2.4 mp0 -61.31 -42.93 99.49 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.177 179.47 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 24.1 mmtt -61.81 -41.07 97.29 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.418 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -64.93 -39.46 93.55 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 120.09 -0.644 . . . . 0.0 110.626 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -63.63 -43.88 95.55 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.318 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -67.72 -41.02 84.15 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.172 0.51 . . . . 0.0 110.318 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 56.3 tttp -60.52 -41.56 94.67 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.606 179.414 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 22' ' ' ALA . . . . . 0.575 ' O ' HD12 ' C' ' 26' ' ' ILE . . . -60.43 -44.3 95.92 Favored 'General case' 0 C--O 1.221 -0.402 0 C-N-CA 120.131 -0.628 . . . . 0.0 109.982 179.448 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.42 -38.3 90.62 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.047 0.451 . . . . 0.0 110.433 179.186 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -60.63 -35.17 75.51 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.401 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -59.64 -37.88 79.87 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.146 -179.075 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 26' ' ' ILE . . . . . 0.575 HD12 ' O ' ' C' ' 22' ' ' ALA . 4.1 mp -82.09 -40.46 17.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.546 179.803 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 27' ' ' PHE . . . . . 0.565 ' HB3' HD11 ' C' ' 36' ' ' ILE . 1.4 m-85 -54.8 -38.0 66.77 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.318 -0.553 . . . . 0.0 111.391 -179.542 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 28' ' ' VAL . . . . . 0.502 ' HB ' ' HB3' ' C' ' 31' ' ' ALA . 31.6 m -75.11 21.07 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.351 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 29' ' ' LEU . . . . . 0.487 ' H ' ' C ' ' C' ' 27' ' ' PHE . 1.0 OUTLIER -46.55 107.56 0.11 Allowed 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 121.409 0.623 . . . . 0.0 109.746 179.309 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 99.01 -20.98 48.1 Favored Glycine 0 CA--C 1.524 0.62 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.914 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 31' ' ' ALA . . . . . 0.502 ' HB3' ' HB ' ' C' ' 28' ' ' VAL . . . -87.34 91.92 8.89 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 120.224 -0.591 . . . . 0.0 109.851 179.22 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 58.6 mp0 -61.96 -34.55 76.34 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.19 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -67.3 -17.73 64.89 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.425 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.02 13.92 70.65 Favored Glycine 0 CA--C 1.52 0.397 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 35' ' ' CYS . . . . . . . . . . . . . 73.8 m -117.62 143.28 46.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.862 0.363 . . . . 0.0 110.685 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 36' ' ' ILE . . . . . 0.565 HD11 ' HB3' ' C' ' 27' ' ' PHE . 90.4 mt -101.37 130.11 51.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.222 0.534 . . . . 0.0 110.897 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 80.1 p -125.81 -169.73 2.06 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.166 -0.924 . . . . 0.0 109.605 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 71.5 p -63.49 -22.91 67.16 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.341 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 8.8 tptm -69.39 -61.25 1.86 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.027 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -63.64 -42.24 98.16 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.175 0.512 . . . . 0.0 110.639 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 25.4 tp -63.9 -38.27 90.47 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.051 -179.024 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.57 -38.65 96.18 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.47 -1.052 . . . . 0.0 110.47 179.696 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.08 -40.11 96.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.331 0.586 . . . . 0.0 109.899 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 64.6 t -62.59 -44.94 99.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.265 179.225 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 9.5 mmt -60.95 -39.1 88.21 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.361 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 -58.85 -43.32 90.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.296 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 59.5 ttp -60.7 -38.84 86.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.124 0.488 . . . . 0.0 110.156 179.557 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 96.6 mt -71.01 -9.83 58.7 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.979 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 93.86 9.21 59.95 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.211 -0.755 . . . . 0.0 111.211 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -111.36 134.26 53.08 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.835 0.35 . . . . 0.0 110.318 179.671 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -133.33 75.64 69.9 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.871 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -64.82 -153.63 0.02 OUTLIER 'Trans proline' 0 C--N 1.296 -2.193 0 C-N-CA 122.484 2.123 . . . . 0.0 111.865 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 37.1 p -126.52 155.8 74.01 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.424 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -51.05 -39.83 59.9 Favored 'Trans proline' 0 N--CA 1.497 1.679 0 C-N-CA 121.78 1.653 . . . . 0.0 113.03 179.303 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -62.5 -44.66 95.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.486 0.66 . . . . 0.0 110.704 -178.427 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -66.99 -42.69 84.62 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.891 -1.05 . . . . 0.0 110.557 -179.622 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 95.2 mt -64.04 -39.09 93.32 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.371 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 12.3 tp-100 -63.32 -41.31 98.9 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.711 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -64.01 -39.62 94.53 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.68 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 28.3 ttt -59.37 -46.07 89.67 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 120.848 0.356 . . . . 0.0 110.399 -179.49 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 61' ' ' ILE . . . . . 0.44 HG21 ' C ' ' C' ' 70' ' ' GLY . 95.7 mt -64.83 -39.56 86.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.163 0.506 . . . . 0.0 110.645 179.52 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -59.04 -37.65 77.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.925 -179.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -59.89 -28.97 68.02 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.306 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 30.3 m -112.95 1.64 8.64 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 N-CA-C 112.181 0.438 . . . . 0.0 112.181 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 65' ' ' ASP . . . . . 0.51 ' OD1' ' N ' ' C' ' 68' ' ' GLY . 40.4 t0 -95.27 104.05 15.93 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 119.975 -0.69 . . . . 0.0 111.036 -179.234 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -65.09 -41.54 94.92 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.054 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 67' ' ' ASP . . . . . 0.437 ' OD1' ' OD1' ' C' ' 65' ' ' ASP . 2.5 p30 -84.49 -10.51 57.4 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.832 -179.308 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 68' ' ' GLY . . . . . 0.51 ' N ' ' OD1' ' C' ' 65' ' ' ASP . . . 71.71 13.82 75.1 Favored Glycine 0 CA--C 1.526 0.719 0 C-N-CA 120.589 -0.815 . . . . 0.0 111.085 179.173 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 93.8 p -62.29 -21.01 64.9 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.58 0.215 . . . . 0.0 111.58 -179.307 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 70' ' ' GLY . . . . . 0.44 ' N ' ' OD2' ' C' ' 65' ' ' ASP . . . 84.96 11.56 76.3 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 110.6 -1.0 . . . . 0.0 110.6 -179.614 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 59.5 p -133.29 161.17 35.2 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.686 0.279 . . . . 0.0 110.67 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 72.9 t -110.53 125.86 67.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.618 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -102.81 -179.22 3.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.64 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 74' ' ' PHE . . . . . 0.497 ' CE2' HD11 ' C' ' 78' ' ' LEU . 88.3 t80 -58.48 -47.46 83.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.624 -179.62 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -61.6 -47.67 84.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.533 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -64.74 -37.28 87.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.126 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -57.45 -47.46 81.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.503 179.184 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 78' ' ' LEU . . . . . 0.546 ' O ' HG23 ' C' ' 82' ' ' VAL . 96.8 mt -61.89 -40.67 96.22 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.587 -179.704 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 72.5 t -65.18 -42.44 94.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.523 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 65.4 ttp -63.07 -37.85 88.85 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-O 121.543 0.687 . . . . 0.0 109.813 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 81' ' ' MET . . . . . 0.456 ' O ' ' SD ' ' C' ' 81' ' ' MET . 0.0 OUTLIER -72.02 -41.88 67.02 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.92 -179.098 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 82' ' ' VAL . . . . . 0.546 HG23 ' O ' ' C' ' 78' ' ' LEU . 64.8 t -62.36 -48.02 90.28 Favored 'Isoleucine or valine' 0 C--O 1.238 0.447 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.419 -179.217 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 42.8 ptt85 -67.7 -32.93 73.91 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.401 -0.519 . . . . 0.0 110.055 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 84' ' ' CYS . . . . . . . . . . . . . 52.8 t -60.93 -46.32 91.14 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.347 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 16.6 tpt -60.93 -43.99 97.83 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.093 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 68.2 mttm . . . . . 0 N--CA 1.463 0.218 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.191 179.139 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.633 0.254 . . . . 0.0 110.364 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 22.5 mmt -63.58 -42.06 98.32 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.691 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' I' I ' 154' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.41 -43.09 95.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.685 -179.434 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -65.4 -41.07 94.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.497 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.975 179.998 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.186 0 CA-C-O 120.609 0.243 . . . . 0.0 110.567 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.35 -40.63 94.99 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.308 -179.577 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 9' ' ' VAL . . . . . 0.419 HG22 HG21 ' C' ' 82' ' ' VAL . 54.3 t -68.16 -46.26 81.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.825 179.255 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -66.09 -25.48 67.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.427 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -61.52 -32.32 72.37 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.564 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 12' ' ' LEU . . . . . 0.453 ' N ' HD22 ' C' ' 12' ' ' LEU . 4.4 mm? -47.34 134.02 11.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.836 0.35 . . . . 0.0 110.692 -179.545 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 63.7 p -86.33 162.76 18.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.873 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 57.8 mp0 -61.76 -39.78 92.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.581 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -63.9 -44.87 91.67 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.412 179.358 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 2.9 tm0? -63.69 -42.08 98.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.029 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -64.75 -39.89 94.38 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.59 179.367 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -61.6 -40.34 94.47 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 120.571 -0.452 . . . . 0.0 111.007 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -65.18 -39.9 93.52 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.476 179.322 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 20' ' ' PHE . . . . . 0.618 ' CD2' HD21 ' C' ' 78' ' ' LEU . 0.0 OUTLIER -64.55 -44.51 90.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.886 179.287 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 19.5 mtpp -58.77 -38.51 78.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.145 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.33 -44.4 97.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.828 0.347 . . . . 0.0 110.201 179.42 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.93 -39.79 94.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.454 178.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 24' ' ' PHE . . . . . 0.642 ' CE2' ' CZ ' ' C' ' 74' ' ' PHE . 53.8 t80 -61.07 -43.58 98.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.28 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -60.04 -39.67 86.72 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.116 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 97.3 mt -70.9 -43.45 76.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.622 0.249 . . . . 0.0 110.408 178.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 27' ' ' PHE . . . . . 0.488 ' CE1' HG21 ' C' ' 44' ' ' VAL . 0.2 OUTLIER -50.45 -43.61 55.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.889 0.376 . . . . 0.0 110.861 -179.608 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 28' ' ' VAL . . . . . 0.611 ' HB ' ' HB3' ' C' ' 31' ' ' ALA . 31.0 m -76.13 26.99 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.957 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 29' ' ' LEU . . . . . 0.454 ' H ' ' C ' ' C' ' 27' ' ' PHE . 0.8 OUTLIER -49.65 101.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.222 0.534 . . . . 0.0 110.642 179.707 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 100.15 -16.92 57.76 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 31' ' ' ALA . . . . . 0.611 ' HB3' ' HB ' ' C' ' 28' ' ' VAL . . . -84.61 95.25 8.82 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 120.879 0.371 . . . . 0.0 110.286 179.618 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.63 -26.08 67.66 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.702 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -68.8 -21.0 64.35 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.488 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.81 13.45 83.11 Favored Glycine 0 CA--C 1.521 0.417 0 N-CA-C 110.675 -0.97 . . . . 0.0 110.675 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 35' ' ' CYS . . . . . . . . . . . . . 74.5 m -112.53 144.94 41.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.766 0.317 . . . . 0.0 110.538 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 78.8 mt -102.64 118.29 49.3 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.155 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.227 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 15.9 p -121.95 -169.96 1.97 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.451 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 76.8 p -62.94 -31.57 72.69 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.244 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 34.8 mtpt -65.72 -44.03 87.29 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.663 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 40' ' ' GLU . . . . . 0.443 ' OE1' ' N ' ' C' ' 40' ' ' GLU . 60.9 mp0 -72.15 -40.7 67.84 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.271 0.557 . . . . 0.0 110.668 179.375 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.18 -29.9 70.77 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.375 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.99 -42.29 98.28 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 57.2 mmtt -68.41 -40.37 81.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.88 0.371 . . . . 0.0 110.281 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 44' ' ' VAL . . . . . 0.488 HG21 ' CE1' ' C' ' 27' ' ' PHE . 79.2 t -63.85 -42.5 96.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.265 179.496 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 16.8 mmt -61.48 -39.67 91.76 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.447 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 42.5 tpt85 -59.88 -41.08 90.79 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.017 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 60.5 ttm -60.81 -39.44 89.0 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.046 0.451 . . . . 0.0 110.255 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 96.9 mt -70.98 -14.58 62.4 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.47 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 94.0 13.69 53.99 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 94.5 mm-40 -110.97 137.25 48.83 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.969 0.414 . . . . 0.0 110.529 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -129.97 74.65 80.38 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.031 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -75.71 -169.56 0.69 Allowed 'Trans proline' 0 C--N 1.308 -1.563 0 C-N-CA 122.848 2.365 . . . . 0.0 112.067 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.57 159.01 34.76 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.075 -179.577 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -49.87 -41.17 47.96 Favored 'Trans proline' 0 N--CA 1.493 1.468 0 C-N-CA 122.392 2.062 . . . . 0.0 112.211 179.234 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.89 -44.1 97.58 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-O 120.731 0.301 . . . . 0.0 110.863 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.27 -39.64 92.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.398 0.618 . . . . 0.0 109.897 -178.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 95.8 mt -68.1 -36.48 79.84 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.846 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -62.92 -44.12 96.94 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.113 -178.639 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -72.88 -27.91 62.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.017 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 33.3 mtt -63.52 -47.01 83.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.188 179.313 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 92.2 mt -68.02 -42.09 85.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.696 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 62' ' ' ASP . . . . . 0.437 ' OD1' ' O ' ' C' ' 62' ' ' ASP . 61.9 t0 -60.69 -35.63 76.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.662 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -49.47 -26.56 3.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -178.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 15.7 m -118.7 -30.3 1.81 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.259 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.187 -179.433 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 65' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -70.9 113.6 8.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.957 0.408 . . . . 0.0 110.386 -179.22 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -81.43 -29.7 33.75 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.621 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 67' ' ' ASP . . . . . 0.412 ' OD2' ' OE2' ' C' ' 76' ' ' GLU . 0.8 OUTLIER -81.28 -14.81 56.99 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.918 -179.801 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 66.4 18.75 67.93 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 179.186 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 88.8 p -62.05 -19.01 62.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.873 0.368 . . . . 0.0 110.736 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.17 5.09 87.78 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.74 -0.944 . . . . 0.0 110.74 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 70.3 p -135.53 159.95 40.01 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 121.161 -0.216 . . . . 0.0 110.482 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 27.1 t -114.73 126.99 72.43 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.017 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 73' ' ' ASP . . . . . 0.478 ' CG ' ' H ' ' C' ' 74' ' ' PHE . 23.2 t0 -99.42 -172.59 2.29 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.678 179.755 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 74' ' ' PHE . . . . . 0.642 ' CZ ' ' CE2' ' C' ' 24' ' ' PHE . 71.0 m-85 -63.86 -46.7 83.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.01 -179.752 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -68.69 -42.8 77.3 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.982 0.42 . . . . 0.0 111.005 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 76' ' ' GLU . . . . . 0.444 ' HB2' ' H ' ' C' ' 73' ' ' ASP . 89.3 mt-10 -63.43 -39.2 93.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.618 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -62.61 -43.48 98.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.225 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 78' ' ' LEU . . . . . 0.618 HD21 ' CD2' ' C' ' 20' ' ' PHE . 85.9 mt -60.71 -39.03 87.06 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.461 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 78.5 t -61.7 -44.44 98.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.023 -179.484 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 80' ' ' MET . . . . . 0.439 ' C ' ' SD ' ' C' ' 80' ' ' MET . 19.5 tmm? -65.23 -40.09 93.61 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.239 0.542 . . . . 0.0 110.454 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 35.1 ttm -64.79 -44.07 91.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.245 -179.537 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 82' ' ' VAL . . . . . 0.45 HG23 ' O ' ' C' ' 78' ' ' LEU . 52.9 t -59.61 -44.5 93.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.352 -179.526 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 76.0 mtp85 -63.74 -45.81 88.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.964 0.411 . . . . 0.0 110.662 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 84' ' ' CYS . . . . . . . . . . . . . 90.7 m -65.41 -38.95 91.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.909 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 12.6 tpt -58.86 -39.66 81.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.39 -178.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 67.7 mttm . . . . . 0 C--O 1.233 0.197 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.15 179.801 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.676 0.274 . . . . 0.0 110.52 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 64.4 mtt -60.51 -45.41 93.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.661 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' I' I ' 154' ' ' MET . . . . . . . . . . . . . 77.7 mtm -66.07 -40.65 91.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.745 179.211 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -63.45 -43.53 97.11 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.914 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.608 -179.183 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.21 0 CA-C-O 120.725 0.298 . . . . 0.0 110.586 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.75 -39.26 84.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.212 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 58.2 t -65.74 -45.94 90.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.14 179.715 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -73.58 -33.06 64.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.952 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -61.86 -38.07 86.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.58 -179.293 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 mp -39.63 143.06 0.25 Allowed 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 120.884 0.373 . . . . 0.0 110.729 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 80.8 p -74.96 164.76 26.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.952 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -61.17 -39.17 89.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.593 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -64.46 -42.28 96.04 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.436 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -62.3 -38.32 88.94 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.281 -0.418 . . . . 0.0 109.996 -179.617 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -68.83 -36.46 78.22 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.266 179.259 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -62.02 -48.73 79.0 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 120.639 -0.424 . . . . 0.0 111.374 -179.01 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -64.76 -37.33 87.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.815 179.72 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 20' ' ' PHE . . . . . 0.454 ' CG ' HD21 ' C' ' 78' ' ' LEU . 0.0 OUTLIER -58.25 -49.28 77.65 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.698 179.333 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -60.17 -44.07 95.32 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.391 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.99 -40.2 94.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.508 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.56 -41.28 97.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.709 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 24' ' ' PHE . . . . . 0.639 ' CD1' ' CZ ' ' C' ' 74' ' ' PHE . 48.2 t80 -61.12 -43.78 98.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.403 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -60.06 -41.52 92.52 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.538 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 95.0 mt -66.57 -40.7 86.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 CA-C-O 120.978 0.418 . . . . 0.0 110.558 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -59.37 -40.43 86.45 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.545 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 28' ' ' VAL . . . . . 0.554 ' HB ' ' HB3' ' C' ' 31' ' ' ALA . 28.2 m -87.09 31.94 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.019 -179.765 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 2.4 pp -52.64 -38.85 61.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . -113.63 27.35 9.37 Favored Glycine 0 C--N 1.331 0.281 0 N-CA-C 111.863 -0.495 . . . . 0.0 111.863 -178.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 31' ' ' ALA . . . . . 0.554 ' HB3' ' HB ' ' C' ' 28' ' ' VAL . . . -119.92 102.79 8.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.856 0.36 . . . . 0.0 110.523 179.718 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -66.21 -37.6 85.96 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.905 179.57 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -66.97 -19.14 65.67 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.468 -179.282 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.64 10.6 81.27 Favored Glycine 0 CA--C 1.519 0.337 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.557 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 35' ' ' CYS . . . . . . . . . . . . . 77.3 m -109.14 150.56 27.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.702 0.287 . . . . 0.0 110.584 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 92.9 mt -96.9 120.14 45.86 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.343 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 77.9 p -122.91 -168.09 1.7 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.516 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 61.4 p -61.99 -39.2 91.4 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.277 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -64.37 -43.58 94.07 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.737 179.406 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 40' ' ' GLU . . . . . 0.508 ' CD ' ' HB2' ' C' ' 31' ' ' ALA . 79.7 mm-40 -66.77 -41.32 87.89 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 120.96 0.409 . . . . 0.0 110.561 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 11.9 mt -67.63 -37.5 82.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.708 179.183 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.64 -41.25 97.29 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 110.637 -0.985 . . . . 0.0 110.637 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.2 -40.15 86.42 Favored 'General case' 0 N--CA 1.44 -0.95 0 C-N-CA 120.701 -0.399 . . . . 0.0 110.333 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 58.9 t -64.25 -42.39 95.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.347 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 18.1 mmt -60.18 -34.62 73.85 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.364 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 51.1 ttm-85 -54.11 -37.29 64.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.763 -179.201 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 99.1 mtp -63.81 -39.08 93.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.065 0.459 . . . . 0.0 110.528 179.463 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 99.5 mt -67.45 -27.87 67.4 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.473 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.84 25.98 6.96 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -120.2 141.44 49.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.811 0.339 . . . . 0.0 110.719 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 -132.01 69.64 80.69 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.275 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -75.33 -167.41 0.43 Allowed 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 123.083 2.522 . . . . 0.0 112.206 -179.485 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 16.6 p -106.33 152.83 40.66 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.811 -179.511 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -60.5 -31.37 92.36 Favored 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.355 2.037 . . . . 0.0 112.219 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -64.0 -41.24 97.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.157 0.504 . . . . 0.0 110.026 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -66.22 -41.58 89.89 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.108 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 63.7 mt -64.88 -37.91 89.2 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.292 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -60.92 -44.62 96.94 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.499 -179.524 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -67.53 -37.85 83.37 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.52 179.439 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 28.4 ttt -59.7 -45.26 92.67 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.332 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 61' ' ' ILE . . . . . 0.51 HG21 ' C ' ' C' ' 70' ' ' GLY . 96.0 mt -63.85 -41.47 92.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.466 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -59.44 -41.95 90.78 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.759 -179.317 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -66.36 -42.23 88.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.842 0.353 . . . . 0.0 110.345 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 96.7 t -77.48 -32.64 18.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.789 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 65' ' ' ASP . . . . . 0.545 ' OD2' ' N ' ' C' ' 69' ' ' SER . 59.5 t0 -83.93 111.41 19.22 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.514 -179.542 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -65.69 -37.9 87.74 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.616 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.64 -11.43 51.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 -179.488 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.76 20.15 73.94 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 69' ' ' SER . . . . . 0.545 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 41.1 m -49.66 -27.71 5.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.828 0.347 . . . . 0.0 110.268 -179.518 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 70' ' ' GLY . . . . . 0.51 ' C ' HG21 ' C' ' 61' ' ' ILE . . . 96.82 -7.12 64.99 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 179.728 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 66.2 p -140.39 163.27 33.24 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.704 0.288 . . . . 0.0 110.612 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 56.0 t -111.24 123.21 66.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.531 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 73' ' ' ASP . . . . . 0.437 ' H ' ' HB2' ' C' ' 76' ' ' GLU . 16.6 t0 -96.63 -170.58 2.09 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.686 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 74' ' ' PHE . . . . . 0.639 ' CZ ' ' CD1' ' C' ' 24' ' ' PHE . 64.7 m-85 -60.5 -49.92 75.61 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.125 -179.673 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -63.36 -45.18 92.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.128 0.489 . . . . 0.0 110.867 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 76' ' ' GLU . . . . . 0.437 ' HB2' ' H ' ' C' ' 73' ' ' ASP . 50.6 mt-10 -64.43 -36.35 83.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.566 178.817 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -58.53 -47.05 85.45 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 78' ' ' LEU . . . . . 0.454 HD21 ' CG ' ' C' ' 20' ' ' PHE . 87.7 mt -62.32 -38.34 89.07 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.339 -0.544 . . . . 0.0 110.546 179.535 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 78.9 t -64.62 -42.25 94.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.823 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 2.0 ptt? -62.79 -30.81 71.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.982 -178.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 1.9 mtp -68.16 -53.42 25.25 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.447 -179.263 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 74.7 t -66.41 -42.96 91.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.652 179.234 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -62.05 -40.63 96.39 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.667 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 84' ' ' CYS . . . . . . . . . . . . . 42.9 t -57.31 -46.7 82.93 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.209 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 82.6 mmm -63.07 -41.91 99.56 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.443 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 64.3 tttm . . . . . 0 N--CA 1.451 -0.407 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.648 179.739 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.698 0.285 . . . . 0.0 110.564 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 72.8 mtp -67.35 -40.14 85.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.26 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' I' I ' 154' ' ' MET . . . . . . . . . . . . . 8.4 mmt -63.34 -41.81 98.9 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.787 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -63.15 -39.56 95.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.419 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.475 179.817 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.197 0 CA-C-O 120.63 0.253 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.7 -43.6 97.57 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.259 -179.378 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 53.1 t -63.63 -47.48 91.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.865 179.346 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -67.06 -29.09 68.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.536 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 9.6 tp-100 -61.81 -27.5 68.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.521 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 95.7 mt -55.16 133.66 49.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.117 0.484 . . . . 0.0 110.711 -179.691 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 82.1 p -80.48 166.99 20.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.65 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 14' ' ' GLU . . . . . 0.44 ' H ' ' CD ' ' C' ' 14' ' ' GLU . 43.5 mp0 -62.93 -39.24 93.98 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.389 -179.391 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -67.92 -41.29 82.85 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.875 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 26.6 mm100 -63.52 -40.79 97.96 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.138 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 19.3 mtpp -63.91 -39.78 94.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.515 179.017 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -63.35 -39.9 95.8 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.057 -0.657 . . . . 0.0 111.109 179.697 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -61.86 -40.17 94.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.596 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 20' ' ' PHE . . . . . 0.865 ' CE2' HD21 ' C' ' 78' ' ' LEU . 0.0 OUTLIER -74.24 -41.03 61.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.806 179.56 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.46 -42.54 70.75 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.285 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.01 -40.91 95.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.008 0.432 . . . . 0.0 110.049 179.423 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.45 -39.76 94.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.355 179.474 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -58.9 -46.99 86.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.231 -179.554 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 25' ' ' ASP . . . . . 0.435 ' O ' HG22 ' C' ' 28' ' ' VAL . 96.7 m-20 -62.21 -35.0 77.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.095 179.607 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 26' ' ' ILE . . . . . 0.424 ' O ' HD23 ' C' ' 29' ' ' LEU . 94.5 mt -75.84 -37.84 35.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.827 179.02 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 27' ' ' PHE . . . . . 0.431 ' C ' ' H ' ' C' ' 29' ' ' LEU . 1.4 m-85 -59.56 -37.42 78.39 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.41 -179.567 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 28' ' ' VAL . . . . . 0.435 HG22 ' O ' ' C' ' 25' ' ' ASP . 26.4 m -72.06 13.96 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.994 -179.269 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 29' ' ' LEU . . . . . 0.431 ' H ' ' C ' ' C' ' 27' ' ' PHE . 2.8 pp -50.47 -38.86 46.1 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.724 179.582 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 30' ' ' GLY . . . . . 0.426 ' N ' HD12 ' C' ' 29' ' ' LEU . . . -85.35 -1.46 88.06 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 -179.089 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 31' ' ' ALA . . . . . 0.439 ' CB ' ' O ' ' C' ' 35' ' ' CYS . . . -128.39 102.36 6.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.92 0.39 . . . . 0.0 110.35 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 25.6 pt-20 -65.44 -19.83 66.1 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.271 0.558 . . . . 0.0 110.981 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.21 -15.74 63.7 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.679 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.73 12.65 71.53 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.534 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 35' ' ' CYS . . . . . 0.439 ' O ' ' CB ' ' C' ' 31' ' ' ALA . 72.8 m -125.79 153.6 43.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.863 0.363 . . . . 0.0 110.729 179.774 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 96.8 mt -94.87 127.14 47.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.625 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 94.2 p -142.12 -169.27 2.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.465 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 59.3 p -59.28 -36.74 76.12 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.288 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -62.95 -43.69 98.11 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.687 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -68.33 -41.31 80.99 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.308 0.575 . . . . 0.0 110.731 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.39 -28.12 69.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.2 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.87 -39.87 97.49 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.715 -0.954 . . . . 0.0 110.715 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.44 -41.15 69.83 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-O 121.012 0.434 . . . . 0.0 110.41 179.758 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 74.7 t -63.56 -45.73 96.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.667 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 8.0 mmt -62.25 -40.67 96.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.83 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -60.96 -41.37 96.23 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.502 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 28.2 ttt -60.2 -39.98 88.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.681 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 96.7 mt -73.46 -6.87 49.13 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.577 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 91.37 11.45 60.99 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -97.39 142.96 28.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.988 0.423 . . . . 0.0 110.503 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -130.34 67.99 80.7 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.569 179.614 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -74.5 -169.04 0.54 Allowed 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.796 2.331 . . . . 0.0 111.928 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.37 158.03 75.6 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.454 -179.633 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -49.59 -25.4 10.91 Favored 'Trans proline' 0 N--CA 1.492 1.388 0 C-N-CA 122.084 1.856 . . . . 0.0 112.477 179.152 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -65.56 -51.65 58.24 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.112 0.482 . . . . 0.0 111.365 -178.468 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.68 -33.44 53.27 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.947 -179.068 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 54.5 mt -64.66 -42.95 95.04 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.063 0.459 . . . . 0.0 110.576 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 58' ' ' GLN . . . . . 0.441 ' O ' ' OD2' ' C' ' 62' ' ' ASP . 11.6 tp-100 -66.91 -44.23 81.3 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.588 179.762 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -62.85 -37.37 86.57 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.711 -179.197 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 60.4 ttm -60.54 -48.12 83.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.338 0.589 . . . . 0.0 110.525 -179.718 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 61' ' ' ILE . . . . . 0.555 HG21 ' C ' ' C' ' 70' ' ' GLY . 95.3 mt -62.99 -38.85 83.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.335 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 62' ' ' ASP . . . . . 0.441 ' OD2' ' O ' ' C' ' 58' ' ' GLN . 3.7 m-20 -57.89 -41.06 81.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.523 -179.561 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -63.44 -39.82 95.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.919 0.39 . . . . 0.0 110.025 179.277 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 67.5 t -77.07 -32.05 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.51 179.648 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 65' ' ' ASP . . . . . 0.458 ' OD2' ' O ' ' C' ' 71' ' ' THR . 91.7 m-20 -87.78 120.5 29.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.92 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -68.62 -39.38 80.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.477 179.21 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 57.0 p30 -82.86 -10.77 58.68 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.994 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 67.0 24.02 72.99 Favored Glycine 0 CA--C 1.52 0.398 0 N-CA-C 110.5 -1.04 . . . . 0.0 110.5 179.549 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 89.7 p -57.89 -31.21 66.51 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.63 -179.371 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 70' ' ' GLY . . . . . 0.555 ' C ' HG21 ' C' ' 61' ' ' ILE . . . 102.29 -1.29 50.38 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 71' ' ' THR . . . . . 0.458 ' O ' ' OD2' ' C' ' 65' ' ' ASP . 38.5 p -130.7 154.95 47.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.707 0.289 . . . . 0.0 110.321 179.68 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 54.2 t -103.65 126.11 58.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.232 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.2 177.75 6.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.634 -179.47 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 74' ' ' PHE . . . . . 0.559 ' CZ ' ' CZ ' ' C' ' 20' ' ' PHE . 16.5 t80 -60.77 -49.62 76.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.558 -178.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -66.15 -40.21 90.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.615 179.235 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -63.5 -39.33 94.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.327 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -62.6 -42.08 99.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.953 -179.674 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 78' ' ' LEU . . . . . 0.865 HD21 ' CE2' ' C' ' 20' ' ' PHE . 78.0 mt -61.73 -39.34 91.21 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.831 179.723 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 61.2 t -63.27 -39.61 85.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.279 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -66.67 -35.62 80.58 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.001 0.429 . . . . 0.0 109.929 -178.699 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 68.4 mtp -65.68 -42.82 90.84 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.265 -179.336 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 72.8 t -65.53 -41.0 89.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.853 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 12.7 mtp85 -56.03 -47.61 77.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.648 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 84' ' ' CYS . . . . . . . . . . . . . 95.6 m -61.59 -39.76 92.38 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.195 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 7.9 mmt -72.2 -41.5 66.89 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.075 -0.511 . . . . 0.0 112.122 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 16.2 mmtp . . . . . 0 N--CA 1.466 0.327 0 CA-C-O 120.828 0.347 . . . . 0.0 111.39 -179.057 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.125 0 CA-C-O 120.748 0.309 . . . . 0.0 110.665 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.67 -48.88 78.27 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.912 -179.516 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' I' I ' 154' ' ' MET . . . . . . . . . . . . . 17.9 mmt -63.59 -39.75 95.19 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.908 179.236 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -64.48 -39.99 94.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.866 0.365 . . . . 0.0 110.897 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.811 -179.744 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 7' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' C' ' 11' ' ' GLN . . . . . . . . 0 N--CA 1.451 -0.395 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.45 -40.09 93.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.199 0.523 . . . . 0.0 110.772 -179.463 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 9' ' ' VAL . . . . . 0.506 ' O ' HD11 ' C' ' 12' ' ' LEU . 54.2 t -68.3 -32.4 55.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.025 179.448 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -90.2 -27.46 19.52 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.099 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 11' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' C' ' 7' ' ' ALA . 34.5 mt-30 -67.64 -39.67 84.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.971 179.269 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 12' ' ' LEU . . . . . 0.568 ' O ' HD12 ' C' ' 12' ' ' LEU . 0.7 OUTLIER -46.34 172.26 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.539 0 CA-C-O 121.138 0.494 . . . . 0.0 111.011 -179.402 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 30.8 p -106.82 171.87 7.13 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.5 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.38 -35.07 78.02 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.079 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -61.62 -43.61 98.55 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.51 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -66.08 -39.06 89.73 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.421 0.629 . . . . 0.0 109.895 179.272 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.72 -27.51 61.23 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.079 179.082 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -69.02 -50.43 48.75 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 120.427 -0.509 . . . . 0.0 111.733 -179.461 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -64.97 -40.04 94.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.11 0.481 . . . . 0.0 110.151 -179.289 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 20' ' ' PHE . . . . . 0.59 ' CD1' ' N ' ' C' ' 21' ' ' LYS . 0.1 OUTLIER -60.37 -48.87 79.87 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.373 179.368 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 21' ' ' LYS . . . . . 0.59 ' N ' ' CD1' ' C' ' 20' ' ' PHE . 63.3 tttm -61.02 -43.54 98.74 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.481 179.759 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.44 -42.57 98.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.743 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.74 -39.83 95.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.671 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 24' ' ' PHE . . . . . 0.403 ' O ' HG22 ' C' ' 28' ' ' VAL . 70.9 t80 -60.33 -44.86 95.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.37 -179.462 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.15 -41.28 96.47 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.856 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 26' ' ' ILE . . . . . 0.49 ' O ' HD23 ' C' ' 29' ' ' LEU . 97.2 mt -68.86 -40.43 81.23 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.305 0 CA-C-O 121.117 0.484 . . . . 0.0 110.696 179.384 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -59.54 -38.32 80.75 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.087 -179.5 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 28' ' ' VAL . . . . . 0.531 HG11 ' O ' ' C' ' 34' ' ' GLY . 23.1 m -92.43 32.28 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.047 -179.499 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 29' ' ' LEU . . . . . 0.49 HD23 ' O ' ' C' ' 26' ' ' ILE . 2.7 pp -60.92 -35.95 78.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.771 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . -98.1 -3.73 57.79 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 111.282 -0.727 . . . . 0.0 111.282 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 31' ' ' ALA . . . . . 0.452 ' CB ' ' O ' ' C' ' 35' ' ' CYS . . . -105.89 106.97 17.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.775 0.322 . . . . 0.0 110.34 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -69.86 -32.1 70.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.239 0.542 . . . . 0.0 110.951 -179.595 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -69.26 -19.74 63.93 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.724 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 34' ' ' GLY . . . . . 0.531 ' O ' HG11 ' C' ' 28' ' ' VAL . . . 93.09 4.71 64.54 Favored Glycine 0 CA--C 1.521 0.441 0 N-CA-C 110.692 -0.963 . . . . 0.0 110.692 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 35' ' ' CYS . . . . . 0.452 ' O ' ' CB ' ' C' ' 31' ' ' ALA . 19.7 p -93.19 159.18 15.39 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 121.098 -0.241 . . . . 0.0 110.437 179.624 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 73.0 mt -115.76 123.43 71.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 N-CA-C 109.975 -0.379 . . . . 0.0 109.975 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 40.5 p -116.42 -172.05 2.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.18 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 68.8 p -64.85 -25.13 67.77 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.283 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -70.94 -47.79 57.05 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 25.4 mp0 -65.31 -38.94 91.72 Favored 'General case' 0 CA--C 1.522 -0.118 0 CA-C-O 120.784 0.326 . . . . 0.0 110.857 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 14.8 mt -64.03 -12.04 34.83 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.911 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.83 -37.94 93.26 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 43' ' ' LYS . . . . . 0.46 ' N ' ' CD ' ' C' ' 43' ' ' LYS . 2.6 mptp? -65.58 -38.06 88.42 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.958 0.409 . . . . 0.0 110.471 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 72.1 t -62.12 -46.27 96.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.729 -179.615 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 24.8 mmt -63.31 -39.1 93.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.738 -179.378 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 56.3 ttp180 -59.5 -42.23 91.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.077 0.465 . . . . 0.0 110.074 -179.414 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 25.2 mmt -63.97 -37.13 86.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.468 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 91.9 mt -78.29 -3.02 40.83 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.571 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.16 25.85 67.74 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -115.03 142.72 46.25 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 121.03 0.443 . . . . 0.0 110.541 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 21.2 p30 -135.65 68.97 66.64 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 115.778 -0.647 . . . . 0.0 111.039 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -75.41 -168.48 0.53 Allowed 'Trans proline' 0 C--N 1.306 -1.705 0 C-N-CA 122.946 2.431 . . . . 0.0 112.026 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 2.5 p -105.15 156.04 36.79 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.377 -179.346 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -52.18 -36.89 68.6 Favored 'Trans proline' 0 N--CA 1.497 1.69 0 C-N-CA 122.118 1.879 . . . . 0.0 112.229 179.081 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -64.41 -39.77 94.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.291 0.567 . . . . 0.0 110.579 -179.188 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -65.45 -41.26 93.62 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.377 -179.615 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 11.7 mt -61.82 -39.36 91.51 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.701 179.63 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 71.2 tp60 -63.92 -41.87 97.54 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.545 -179.568 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -65.24 -38.52 90.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.774 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 22.2 mmt -61.15 -42.57 98.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.679 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 61' ' ' ILE . . . . . 0.544 HG21 ' C ' ' C' ' 70' ' ' GLY . 96.2 mt -65.9 -40.3 87.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.647 179.51 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 60.9 t0 -59.66 -44.93 93.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.072 -179.311 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -63.99 -40.71 96.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.816 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 93.9 t -81.16 -32.28 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 65' ' ' ASP . . . . . 0.517 ' OD2' ' N ' ' C' ' 69' ' ' SER . 68.0 t0 -76.62 118.28 19.1 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.981 -179.557 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -67.18 -40.97 86.63 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.94 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 67' ' ' ASP . . . . . 0.438 ' OD1' ' OD2' ' C' ' 65' ' ' ASP . 2.3 p30 -82.79 -12.74 57.26 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.082 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 66.11 22.8 70.98 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 110.625 -0.99 . . . . 0.0 110.625 179.051 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 69' ' ' SER . . . . . 0.517 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 90.7 p -60.51 -22.09 63.19 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.743 0.306 . . . . 0.0 110.807 -179.52 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 70' ' ' GLY . . . . . 0.544 ' C ' HG21 ' C' ' 61' ' ' ILE . . . 93.72 -9.22 73.71 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.772 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 72.3 p -130.45 159.92 35.61 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 48.4 t -111.66 124.5 68.48 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-O 121.016 0.436 . . . . 0.0 110.137 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 73' ' ' ASP . . . . . 0.447 ' H ' ' HB2' ' C' ' 76' ' ' GLU . 97.8 m-20 -91.81 -178.76 5.13 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.663 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -59.17 -50.27 74.66 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.428 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 75' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' C' ' 76' ' ' GLU . 43.1 p-10 -68.61 -39.16 80.97 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.741 179.699 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 76' ' ' GLU . . . . . 0.532 ' N ' ' OD1' ' C' ' 75' ' ' ASP . 98.3 mt-10 -64.67 -39.21 93.29 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.962 0.41 . . . . 0.0 110.551 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -62.81 -41.47 99.31 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -179.582 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 11.4 tp -62.56 -38.32 89.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.014 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 79' ' ' VAL . . . . . 0.465 HG23 ' O ' ' C' ' 75' ' ' ASP . 87.1 t -65.01 -39.82 86.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.627 -179.491 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 16.4 tmm? -63.78 -39.98 95.56 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.639 -179.361 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 17.3 ttt -61.7 -50.46 72.36 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.506 -179.408 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 66.0 t -67.94 -41.69 84.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.696 179.361 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 38.6 ttt85 -60.46 -42.09 95.5 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-O 120.903 0.382 . . . . 0.0 110.436 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 84' ' ' CYS . . . . . . . . . . . . . 52.6 t -60.49 -44.56 95.83 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.392 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 3.3 mmt -63.36 -60.54 3.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.329 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.681 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.874 0.368 . . . . 0.0 110.768 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 66.1 mtt -63.27 -41.01 98.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.846 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' I' I ' 154' ' ' MET . . . . . . . . . . . . . 37.5 mmt -63.46 -41.64 98.62 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.33 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -64.75 -40.77 95.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.988 0.423 . . . . 0.0 110.552 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.445 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.487 179.707 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' C' C ' 7' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' C' ' 11' ' ' GLN . . . . . . . . 0 N--CA 1.456 -0.16 0 CA-C-O 120.81 0.338 . . . . 0.0 110.723 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.95 -44.59 95.65 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.835 -179.139 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 77.4 t -70.3 -42.35 78.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.277 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -81.78 -17.04 49.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.691 -179.455 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 11' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' C' ' 7' ' ' ALA . 4.1 tt0 -128.09 33.13 4.79 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.958 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 12' ' ' LEU . . . . . 0.63 HD23 ' N ' ' C' ' 12' ' ' LEU . 0.5 OUTLIER -63.45 172.89 1.8 Allowed 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 121.124 0.488 . . . . 0.0 110.889 179.31 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 60.0 p -88.72 159.15 17.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.103 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -68.95 -32.17 71.57 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.511 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -64.57 -40.58 95.8 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.887 179.475 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -64.22 -39.74 94.61 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.993 178.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -60.81 -40.62 93.43 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.789 179.698 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -66.13 -45.95 79.25 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 119.993 -0.683 . . . . 0.0 110.503 -179.356 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -65.3 -40.4 93.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.552 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 20' ' ' PHE . . . . . 0.46 ' CG ' ' N ' ' C' ' 21' ' ' LYS . 0.0 OUTLIER -58.43 -51.67 68.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.958 179.74 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 21' ' ' LYS . . . . . 0.46 ' N ' ' CG ' ' C' ' 20' ' ' PHE . 0.8 OUTLIER -62.41 -42.58 99.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.379 -179.863 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.9 -42.92 99.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.991 0.424 . . . . 0.0 110.919 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.62 -40.17 96.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.613 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 24' ' ' PHE . . . . . 0.696 ' O ' HG22 ' C' ' 28' ' ' VAL . 32.7 t80 -61.69 -41.04 97.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.035 -179.553 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -62.85 -41.42 99.36 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.738 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 97.9 mt -65.74 -44.06 93.31 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 CA-C-O 120.985 0.422 . . . . 0.0 110.726 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -60.55 -42.13 95.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.079 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 28' ' ' VAL . . . . . 0.696 HG22 ' O ' ' C' ' 24' ' ' PHE . 25.2 m -91.38 33.47 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.222 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -37.79 83.55 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 O-C-N 123.694 0.621 . . . . 0.0 111.245 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 30' ' ' GLY . . . . . 0.626 ' N ' ' O ' ' C' ' 28' ' ' VAL . . . 56.35 31.81 60.0 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.598 -1.001 . . . . 0.0 110.598 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.52 131.36 45.94 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.596 -179.391 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -66.28 -29.2 69.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.86 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -85.43 -20.71 29.4 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.889 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 77.23 9.54 86.74 Favored Glycine 0 CA--C 1.521 0.417 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 35' ' ' CYS . . . . . . . . . . . . . 66.8 m -139.95 169.87 16.9 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.811 0.339 . . . . 0.0 110.95 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 4.8 mp -96.3 117.25 40.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.43 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 37' ' ' SER . . . . . 0.411 ' N ' ' OE1' ' C' ' 40' ' ' GLU . 3.7 p -127.73 -168.83 1.95 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.018 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 82.7 p -65.54 -25.34 67.39 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.486 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -76.73 -48.17 19.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.029 0.443 . . . . 0.0 110.522 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 40' ' ' GLU . . . . . 0.411 ' OE1' ' N ' ' C' ' 37' ' ' SER . 61.1 mp0 -63.43 -42.94 98.71 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.279 0.562 . . . . 0.0 110.369 -179.344 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 41' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' C' ' 41' ' ' LEU . 92.7 mt -65.81 -36.04 82.4 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.295 179.491 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.38 -40.48 96.1 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -66.53 -40.75 89.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.021 0.439 . . . . 0.0 110.376 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 64.9 t -67.45 -42.66 87.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.777 179.526 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 20.0 mmt -59.96 -36.06 76.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.86 -179.357 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -53.68 -38.64 64.38 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.045 -179.589 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 73.4 mtm -72.3 -20.78 61.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.97 0.414 . . . . 0.0 110.647 179.445 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 91.4 mt -86.06 -3.2 58.89 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.477 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.59 16.82 72.37 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -116.04 134.56 54.83 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.042 0.448 . . . . 0.0 110.365 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 -132.43 70.12 79.81 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.557 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -75.49 -170.55 0.83 Allowed 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.868 2.379 . . . . 0.0 112.04 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 16.0 p -111.52 151.47 43.31 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.951 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -45.78 -35.37 13.38 Favored 'Trans proline' 0 C--N 1.314 -1.285 0 C-N-CA 122.29 1.993 . . . . 0.0 112.254 179.294 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -64.59 -42.6 95.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.12 0.486 . . . . 0.0 110.398 -179.496 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -69.56 -41.26 76.1 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.402 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 57' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' C' ' 57' ' ' LEU . 96.0 mt -64.5 -37.92 89.23 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.196 179.693 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 23.1 tm0? -61.92 -42.95 99.69 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.668 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -63.72 -40.89 97.89 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.478 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 89.9 mmm -61.01 -44.03 98.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.917 0.389 . . . . 0.0 110.321 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 61' ' ' ILE . . . . . 0.582 HG21 ' C ' ' C' ' 70' ' ' GLY . 96.1 mt -65.48 -45.86 91.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.518 179.474 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -57.2 -33.74 67.8 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.897 -179.095 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -60.18 -39.48 86.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.671 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 10.7 m -104.97 6.38 10.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.976 -179.476 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 65' ' ' ASP . . . . . 0.538 ' CG ' ' H ' ' C' ' 68' ' ' GLY . 51.1 t0 -84.94 132.89 34.3 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.769 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -85.43 -34.33 21.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.041 179.475 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 67' ' ' ASP . . . . . 0.472 ' OD1' ' OD1' ' C' ' 65' ' ' ASP . 59.2 p30 -102.81 -9.94 19.53 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.224 -179.791 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 68' ' ' GLY . . . . . 0.538 ' H ' ' CG ' ' C' ' 65' ' ' ASP . . . 70.46 17.29 74.39 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.473 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 69' ' ' SER . . . . . 0.534 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 98.4 p -62.62 -19.09 63.43 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.669 0.271 . . . . 0.0 110.735 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 70' ' ' GLY . . . . . 0.582 ' C ' HG21 ' C' ' 61' ' ' ILE . . . 94.87 5.26 61.23 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 110.859 -0.897 . . . . 0.0 110.859 -179.782 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 79.1 p -133.39 161.79 33.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.506 0.194 . . . . 0.0 110.599 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 56.0 t -112.09 122.14 65.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.921 0.391 . . . . 0.0 110.153 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 73' ' ' ASP . . . . . 0.478 ' CG ' ' H ' ' C' ' 74' ' ' PHE . 43.5 t0 -90.18 -178.17 5.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.795 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 74' ' ' PHE . . . . . 0.622 ' CZ ' ' CE1' ' C' ' 24' ' ' PHE . 8.3 m-85 -59.43 -51.52 69.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.494 -179.706 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 75' ' ' ASP . . . . . 0.544 ' OD1' ' N ' ' C' ' 76' ' ' GLU . 42.9 p-10 -65.32 -40.77 94.17 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.232 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 76' ' ' GLU . . . . . 0.544 ' N ' ' OD1' ' C' ' 75' ' ' ASP . 98.8 mt-10 -64.25 -39.4 93.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.231 179.625 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -62.65 -43.08 99.72 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.151 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 27.0 tp -62.72 -39.94 95.61 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.449 -179.284 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 68.5 t -63.09 -46.99 94.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.299 -179.354 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 80' ' ' MET . . . . . 0.442 ' C ' ' SD ' ' C' ' 80' ' ' MET . 0.0 OUTLIER -70.7 -23.88 62.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.006 0.431 . . . . 0.0 110.258 -179.346 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 81' ' ' MET . . . . . 0.464 ' O ' ' SG ' ' C' ' 84' ' ' CYS . 14.9 tpt -66.61 -52.43 45.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.601 -179.513 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 76.3 t -70.94 -42.0 77.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.623 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 49.9 ttm-85 -60.97 -46.82 89.21 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.097 -179.615 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 84' ' ' CYS . . . . . 0.464 ' SG ' ' O ' ' C' ' 81' ' ' MET . 21.1 p -65.19 -31.93 73.36 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.606 -0.438 . . . . 0.0 110.325 -179.706 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 10.5 tpt -66.97 -40.47 87.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.93 0.395 . . . . 0.0 110.465 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp . . . . . 0 C--N 1.332 -0.195 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.777 -179.727 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.789 0.328 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' I' I ' 153' ' ' MET . . . . . 0.498 ' SD ' ' O ' ' I' ' 153' ' ' MET . 0.0 OUTLIER -59.78 -45.12 93.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.309 -179.252 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' I' I ' 154' ' ' MET . . . . . . . . . . . . . 36.5 mmt -62.63 -39.82 95.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.224 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -61.38 -51.85 67.07 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.568 -179.279 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 -0.315 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.262 179.48 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.385 0 N-CA-C 110.444 -0.206 . . . . 0.0 110.444 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.36 -46.58 88.0 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.059 -0.656 . . . . 0.0 110.731 -179.316 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 61.4 t -63.75 -46.79 93.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.808 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 40.5 tp10 -66.87 -34.07 76.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.189 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 11' ' ' GLN . . . . . 0.44 ' O ' ' C ' ' C' ' 12' ' ' LEU . 66.7 tt0 -61.1 -38.03 84.86 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.367 -179.287 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 12' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' C' ' 11' ' ' GLN . 91.0 mt -34.65 132.35 0.31 Allowed 'General case' 0 N--CA 1.464 0.258 0 O-C-N 123.355 0.41 . . . . 0.0 110.827 -179.522 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 13' ' ' THR . . . . . 0.43 ' OG1' ' OE1' ' C' ' 16' ' ' GLN . 67.9 p -75.72 166.03 24.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.802 -179.646 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -61.21 -33.69 73.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.287 0.565 . . . . 0.0 110.622 -179.493 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -73.11 -44.15 60.7 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.72 179.197 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 16' ' ' GLN . . . . . 0.43 ' OE1' ' OG1' ' C' ' 13' ' ' THR . 2.2 mp0 -59.09 -44.16 91.9 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.389 179.689 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -62.97 -39.45 94.71 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.513 179.365 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -63.51 -39.95 95.78 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 120.055 -0.658 . . . . 0.0 110.901 -179.486 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -60.96 -43.66 98.43 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 120.95 0.405 . . . . 0.0 111.074 -179.482 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -64.7 -41.11 96.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.128 0.49 . . . . 0.0 110.393 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 40.0 tptt -62.0 -39.97 94.05 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.975 179.535 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.59 -42.77 93.28 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.789 -0.365 . . . . 0.0 110.108 -179.176 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.96 -39.98 96.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.344 179.132 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -60.21 -45.95 91.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.42 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -59.49 -45.64 91.1 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.915 0.388 . . . . 0.0 110.754 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 87.8 mt -63.44 -39.57 85.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.148 0.499 . . . . 0.0 110.666 179.267 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 27' ' ' PHE . . . . . 0.556 ' HB3' HD12 ' C' ' 36' ' ' ILE . 2.8 m-85 -56.96 -38.11 72.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.156 -179.354 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 28' ' ' VAL . . . . . 0.416 ' O ' ' C ' ' C' ' 29' ' ' LEU . 34.8 m -92.26 30.84 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.747 179.579 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 29' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' C' ' 28' ' ' VAL . 0.9 OUTLIER -35.35 -40.31 0.14 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.052 -179.911 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . -151.93 52.18 0.49 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.074 -0.811 . . . . 0.0 111.074 179.673 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -93.66 121.09 34.73 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.48 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -63.33 -39.54 94.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.683 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 56.8 p30 -79.5 -14.31 58.97 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.81 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.83 18.67 80.11 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 179.695 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 35' ' ' CYS . . . . . 0.425 ' C ' HD13 ' C' ' 36' ' ' ILE . 80.3 m -131.38 171.56 13.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.92 0.39 . . . . 0.0 110.854 -179.728 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 36' ' ' ILE . . . . . 0.577 HD13 ' N ' ' C' ' 36' ' ' ILE . 1.2 mm -94.21 121.97 45.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.074 -179.324 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 34.9 p -129.09 -167.06 1.73 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.103 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 71.5 p -64.55 -22.54 67.0 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.416 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.11 -49.28 11.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.833 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 40' ' ' GLU . . . . . 0.466 ' O ' HG23 ' C' ' 44' ' ' VAL . 28.1 mp0 -61.97 -40.51 95.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.539 179.671 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 41' ' ' LEU . . . . . 0.583 HD23 HD22 ' C' ' 57' ' ' LEU . 4.3 tp -70.53 -36.05 73.51 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.224 179.802 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.29 -40.8 97.92 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 -179.587 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 52.7 tttp -71.4 -39.23 71.27 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 121.214 0.53 . . . . 0.0 110.2 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 44' ' ' VAL . . . . . 0.466 HG23 ' O ' ' C' ' 40' ' ' GLU . 53.6 t -60.47 -39.52 81.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.651 179.665 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 9.2 mmt -51.69 -18.73 1.3 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.321 -178.761 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 24.6 mmt85 -61.47 -37.06 82.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.3 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 65.0 mtt -62.02 -40.07 94.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.132 -179.526 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 48' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' C' ' 48' ' ' LEU . 81.4 mt -66.99 -30.28 70.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.49 179.18 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 99.2 26.76 8.59 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -142.97 160.65 39.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.901 0.382 . . . . 0.0 110.659 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -141.47 80.14 16.62 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.475 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -60.27 -157.86 0.02 OUTLIER 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.939 2.426 . . . . 0.0 111.906 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 16.6 p -114.23 150.3 43.47 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 115.439 -0.801 . . . . 0.0 111.53 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -62.24 -28.19 78.94 Favored 'Trans proline' 0 N--CA 1.495 1.588 0 C-N-CA 122.029 1.82 . . . . 0.0 112.864 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 55' ' ' GLU . . . . . 0.473 ' CG ' ' N ' ' C' ' 56' ' ' GLU . 8.0 pt-20 -63.19 -49.28 74.85 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.014 0.435 . . . . 0.0 111.98 -179.074 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 56' ' ' GLU . . . . . 0.473 ' N ' ' CG ' ' C' ' 55' ' ' GLU . 11.7 pt-20 -71.54 -31.27 66.83 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.357 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 57' ' ' LEU . . . . . 0.583 HD22 HD23 ' C' ' 41' ' ' LEU . 79.0 mt -62.36 -40.83 97.72 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.19 0.519 . . . . 0.0 110.128 179.174 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -67.9 -39.55 83.58 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.823 179.415 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -59.58 -42.95 93.65 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.321 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 75.5 mtm -64.02 -41.27 97.51 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.612 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 61' ' ' ILE . . . . . 0.447 HG21 ' C ' ' C' ' 70' ' ' GLY . 87.0 mt -61.84 -43.52 97.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 CA-C-O 121.175 0.512 . . . . 0.0 110.293 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -61.0 -38.41 85.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.636 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -60.81 -45.96 92.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.649 -0.251 . . . . 0.0 111.195 -179.419 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 10.7 p -81.82 -31.88 11.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 120.629 -0.429 . . . . 0.0 111.165 -179.528 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 65' ' ' ASP . . . . . 0.419 ' OD2' HG22 ' C' ' 61' ' ' ILE . 77.6 m-20 -70.24 126.31 29.28 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.569 -0.453 . . . . 0.0 110.562 -179.78 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 66' ' ' GLU . . . . . 0.456 ' OE1' ' N ' ' C' ' 66' ' ' GLU . 59.9 mp0 -86.58 -16.15 37.69 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.405 179.119 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 58.3 p30 -104.35 -10.89 17.46 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.974 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 67.07 22.6 72.53 Favored Glycine 0 CA--C 1.52 0.394 0 N-CA-C 110.557 -1.017 . . . . 0.0 110.557 179.466 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 96.4 p -59.64 -28.2 67.03 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.998 -179.289 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 70' ' ' GLY . . . . . 0.447 ' C ' HG21 ' C' ' 61' ' ' ILE . . . 93.23 -1.58 70.16 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 68.2 p -132.81 163.85 28.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.728 0.299 . . . . 0.0 110.72 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 95.8 t -117.2 126.12 74.34 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.479 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -94.37 177.19 6.03 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.727 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -58.71 -49.29 78.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.214 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 75' ' ' ASP . . . . . 0.643 ' O ' HG23 ' C' ' 79' ' ' VAL . 98.3 m-20 -61.93 -44.09 97.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.881 0.372 . . . . 0.0 110.146 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -65.2 -40.22 93.9 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.091 0.472 . . . . 0.0 110.132 178.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -59.63 -47.15 86.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.354 178.545 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 6.8 tp -63.4 -39.53 94.76 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.311 -0.556 . . . . 0.0 110.001 -179.672 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 79' ' ' VAL . . . . . 0.643 HG23 ' O ' ' C' ' 75' ' ' ASP . 73.3 t -63.33 -44.12 98.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.44 -179.337 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 1.9 ptt? -68.66 -30.99 69.8 Favored 'General case' 0 CA--C 1.519 -0.217 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 -178.797 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.67 -47.66 62.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.04 -179.605 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 70.4 t -63.6 -45.06 98.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.549 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 20.9 mtt180 -61.9 -44.54 96.59 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.765 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 84' ' ' CYS . . . . . . . . . . . . . 98.1 m -65.45 -40.1 92.82 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.659 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 85' ' ' MET . . . . . 0.433 ' C ' ' SD ' ' C' ' 85' ' ' MET . 0.7 OUTLIER -62.9 -44.07 97.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.688 -179.098 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.669 -179.872 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.217 0 CA-C-O 120.883 0.373 . . . . 0.0 110.507 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 58.2 ttm -70.1 -40.57 74.87 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 121.281 0.562 . . . . 0.0 110.568 179.701 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' I' I ' 154' ' ' MET . . . . . . . . . . . . . 2.0 mtt -60.7 -23.43 64.87 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.224 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 69.3 tp60 -61.69 -42.02 98.36 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.065 -179.245 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.148 179.554 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.522 ' C ' ' H ' ' C' ' 3' ' ' ASP . 35.1 ttm . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 2' ' ' ASP . . . . . 0.475 ' N ' ' CG ' ' C' ' 1' ' ' MET . 1.1 m-20 -60.86 2.02 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.753 179.592 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 3' ' ' ASP . . . . . 0.522 ' H ' ' C ' ' C' ' 1' ' ' MET . 97.9 m-20 -61.23 -37.01 81.51 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.304 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 4' ' ' ILE . . . . . 0.489 HG23 ' N ' ' C' ' 5' ' ' TYR . 14.9 tt -58.37 -40.4 78.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.732 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 5' ' ' TYR . . . . . 0.489 ' N ' HG23 ' C' ' 4' ' ' ILE . 42.2 m-85 -67.53 -38.92 84.95 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.631 179.653 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -58.95 -49.64 77.06 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.61 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.58 -40.19 95.09 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.55 179.09 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.48 -41.93 92.75 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.501 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 55.8 t -69.26 -43.29 81.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.674 179.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -62.22 -40.71 97.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.288 -179.25 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -64.42 -37.77 88.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.299 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 12' ' ' LEU . . . . . 0.546 ' O ' ' NZ ' ' C' ' 17' ' ' LYS . 0.9 OUTLIER -47.87 143.88 3.84 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.661 -179.606 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 71.1 p -78.63 162.86 25.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.539 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 14' ' ' GLU . . . . . 0.427 ' O ' ' OD1' ' C' ' 18' ' ' ASN . 96.9 mt-10 -63.02 -37.35 86.82 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.565 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -66.21 -42.88 88.14 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.785 -179.289 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 16' ' ' GLN . . . . . 0.454 ' O ' ' CD2' ' C' ' 20' ' ' PHE . 58.6 mt-30 -61.36 -41.67 97.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.898 179.458 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 17' ' ' LYS . . . . . 0.546 ' NZ ' ' O ' ' C' ' 12' ' ' LEU . 51.2 mttp -65.21 -39.55 92.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.829 179.3 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 18' ' ' ASN . . . . . 0.427 ' OD1' ' O ' ' C' ' 14' ' ' GLU . 27.2 m120 -62.43 -39.36 93.08 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.978 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.03 -45.77 92.12 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.747 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 20' ' ' PHE . . . . . 0.454 ' CD2' ' O ' ' C' ' 16' ' ' GLN . 47.7 m-85 -69.59 -38.93 77.53 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.619 179.465 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -60.22 -40.24 89.49 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.148 179.107 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.26 -42.25 98.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.3 179.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.45 -38.2 88.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.398 178.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -57.92 -47.66 82.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.405 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -59.46 -39.79 84.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.29 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 93.6 mt -68.33 -39.74 81.42 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.241 0 CA-C-O 121.199 0.523 . . . . 0.0 110.597 179.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 27' ' ' PHE . . . . . 0.452 ' CE1' HG21 ' C' ' 44' ' ' VAL . 2.6 m-85 -57.96 -41.35 82.68 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.238 -178.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 27.0 m -78.23 20.38 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.928 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 29' ' ' LEU . . . . . 0.681 HD12 ' N ' ' C' ' 30' ' ' GLY . 3.6 pp -59.68 -10.41 3.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.515 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 30' ' ' GLY . . . . . 0.681 ' N ' HD12 ' C' ' 29' ' ' LEU . . . -119.46 8.61 12.03 Favored Glycine 0 CA--C 1.519 0.321 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 -179.122 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 31' ' ' ALA . . . . . 0.409 ' CB ' ' O ' ' C' ' 35' ' ' CYS . . . -126.04 125.35 42.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.823 0.344 . . . . 0.0 110.641 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -81.49 -31.06 33.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.893 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -72.13 -15.58 61.98 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.526 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 89.23 10.54 65.89 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 35' ' ' CYS . . . . . 0.409 ' O ' ' CB ' ' C' ' 31' ' ' ALA . 75.3 m -101.59 150.93 22.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.793 0.33 . . . . 0.0 110.465 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 84.3 mt -102.6 121.34 53.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.118 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 49.6 m -122.16 -168.63 1.75 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.581 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 73.1 p -64.43 -31.37 72.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.349 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 63.6 mmtt -62.45 -45.15 94.37 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.781 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 46.7 mp0 -64.88 -42.78 94.52 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.728 179.124 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 10.9 tp -68.07 -35.97 79.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.192 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.53 -40.99 98.55 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.786 -0.926 . . . . 0.0 110.786 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -66.52 -40.2 89.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.866 0.365 . . . . 0.0 110.595 179.043 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 44' ' ' VAL . . . . . 0.452 HG21 ' CE1' ' C' ' 27' ' ' PHE . 74.7 t -63.29 -47.16 93.41 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.518 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 27.3 mtt -63.24 -38.78 92.5 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.864 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -57.57 -43.72 84.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.368 -179.107 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 51.3 ttm -62.82 -39.12 93.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.065 0.46 . . . . 0.0 110.579 178.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 95.6 mt -65.57 -18.92 65.68 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.572 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.41 8.32 41.05 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 50' ' ' GLN . . . . . 0.454 ' OE1' HD11 ' I' ' 148' ' ' ILE . 74.8 mt-30 -104.8 131.98 51.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.839 0.352 . . . . 0.0 110.466 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 51' ' ' ASN . . . . . 0.44 ' N ' ' OD1' ' C' ' 51' ' ' ASN . 21.3 p-10 -136.22 64.68 54.83 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.807 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -72.36 -167.38 0.32 Allowed 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 123.011 2.474 . . . . 0.0 112.02 179.47 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 2.2 p -90.26 151.51 44.73 Favored Pre-proline 0 C--O 1.242 0.658 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.091 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -61.84 -30.36 84.13 Favored 'Trans proline' 0 C--N 1.308 -1.591 0 C-N-CA 122.463 2.109 . . . . 0.0 112.217 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -62.56 -36.25 82.06 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.13 -0.487 . . . . 0.0 109.85 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -68.71 -40.78 79.79 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.201 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 8.9 mp -60.37 -40.96 92.66 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.842 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 58' ' ' GLN . . . . . 0.535 ' NE2' ' OD2' ' C' ' 62' ' ' ASP . 25.8 tm0? -66.2 -42.12 89.23 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 -64.37 -39.21 93.43 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.129 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -60.06 -44.95 94.37 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.987 0.422 . . . . 0.0 110.499 -179.437 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 61' ' ' ILE . . . . . 0.424 ' O ' ' N ' ' C' ' 65' ' ' ASP . 87.4 mt -60.48 -41.45 87.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.211 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 62' ' ' ASP . . . . . 0.535 ' OD2' ' NE2' ' C' ' 58' ' ' GLN . 95.4 m-20 -59.69 -39.01 83.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.606 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -61.91 -41.43 97.91 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.394 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 53.8 t -85.43 -32.06 7.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 65' ' ' ASP . . . . . 0.506 ' OD2' ' N ' ' C' ' 69' ' ' SER . 47.7 t0 -83.81 116.51 22.75 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.547 -179.578 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -72.01 -34.69 69.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.51 -179.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.66 -14.83 56.15 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.041 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 65.67 20.03 67.74 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.5 -1.04 . . . . 0.0 110.5 179.223 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 69' ' ' SER . . . . . 0.506 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 84.5 p -60.6 -21.59 62.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.792 0.329 . . . . 0.0 110.72 -179.179 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 86.77 5.24 81.65 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 69.4 p -128.94 152.76 48.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.721 0.296 . . . . 0.0 110.494 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 94.1 t -119.31 124.48 73.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.672 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -103.01 -177.36 3.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.746 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -58.89 -48.16 82.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.706 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -60.32 -46.24 90.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.617 -179.139 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -65.89 -40.15 91.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.929 0.395 . . . . 0.0 110.597 178.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -60.16 -46.02 91.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.352 178.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 62.3 tp -60.12 -44.65 94.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.466 -179.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 57.5 t -63.05 -42.6 97.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.895 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 43.3 ttp -63.6 -39.03 93.32 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.167 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 81' ' ' MET . . . . . 0.457 ' C ' ' SD ' ' C' ' 81' ' ' MET . 0.0 OUTLIER -63.84 -47.46 80.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.695 -179.113 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 75.8 t -66.68 -42.0 88.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.58 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 77.1 ttt-85 -60.85 -44.45 96.97 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.709 -178.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 84' ' ' CYS . . . . . . . . . . . . . 92.0 m -62.8 -41.71 99.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.803 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 8.0 tpt -66.49 -44.62 82.12 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.604 -179.179 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 86' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' C' ' 88' ' ' ASP . 62.3 tttp -62.37 -40.28 95.93 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.752 179.506 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 87' ' ' ASP . . . . . 0.422 ' O ' ' OD1' ' C' ' 87' ' ' ASP . 60.1 t0 -38.85 -27.65 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.671 -179.462 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 88' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' C' ' 86' ' ' LYS . 38.2 t70 -122.6 73.42 1.12 Allowed 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.567 179.221 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 24.6 t . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.656 179.799 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' I' I ' 144' ' ' ARG . . . . . . . . . . . . . 2.7 tpp180 . . . . . 0 N--CA 1.488 1.428 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' I' I ' 145' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 51.13 42.73 29.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.428 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 146' ' ' VAL . . . . . . . . . . . . . 31.5 m -54.14 156.69 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.541 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.28 141.95 47.99 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.671 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 148' ' ' ILE . . . . . 0.454 HD11 ' OE1' ' C' ' 50' ' ' GLN . 15.2 mt 47.92 76.45 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.627 179.587 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 149' ' ' SER . . . . . 0.673 ' O ' ' HB2' ' I' ' 150' ' ' ALA . 89.4 p -62.54 -37.72 87.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.491 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 150' ' ' ALA . . . . . 0.673 ' HB2' ' O ' ' I' ' 149' ' ' SER . . . 162.16 -25.64 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.579 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 151' ' ' ASP . . . . . 0.614 ' O ' ' NE2' ' I' ' 155' ' ' GLN . 1.3 p30 -66.53 -47.28 73.41 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.816 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 152' ' ' ALA . . . . . 0.436 ' HB3' HG23 ' I' ' 148' ' ' ILE . . . -60.82 -40.81 94.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.559 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 26.5 ttm -63.48 -43.33 97.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.851 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 154' ' ' MET . . . . . 0.496 ' O ' ' O ' ' I' ' 157' ' ' LEU . 0.0 OUTLIER -59.09 -37.86 78.14 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.388 -179.347 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' I' I ' 155' ' ' GLN . . . . . 0.614 ' NE2' ' O ' ' I' ' 151' ' ' ASP . 2.1 mp0 -72.23 -34.37 68.26 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.851 0.358 . . . . 0.0 110.81 179.226 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . -60.09 -38.75 83.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.449 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 157' ' ' LEU . . . . . 0.496 ' O ' ' O ' ' I' ' 154' ' ' MET . 1.4 pp -120.62 177.7 4.97 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.637 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 158' ' ' LEU . . . . . . . . . . . . . 35.4 tp -59.01 -78.1 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.442 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 159' ' ' GLY . . . . . 0.447 ' N ' HD12 ' I' ' 157' ' ' LEU . . . 49.62 -133.23 26.45 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 178.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 160' ' ' ALA . . . . . . . . . . . . . . . -115.17 138.61 50.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.866 0.365 . . . . 0.0 110.616 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 161' ' ' ARG . . . . . 0.581 ' O ' ' CG ' ' I' ' 162' ' ' HIS . 76.3 ttt180 -62.27 -37.03 83.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.546 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 162' ' ' HIS . . . . . 0.581 ' CG ' ' O ' ' I' ' 161' ' ' ARG . 22.3 p80 46.29 24.09 0.25 Allowed 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.18 0.514 . . . . 0.0 110.408 -179.336 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 163' ' ' LYS . . . . . . . . . . . . . 67.1 mttm 52.9 -134.46 1.67 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.354 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 164' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -97.2 -4.69 38.59 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.43 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 165' ' ' SER . . . . . . . . . . . . . 92.6 p -171.4 170.21 5.97 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.5 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 166' ' ' LEU . . . . . 0.457 ' H ' HD12 ' I' ' 166' ' ' LEU . 0.9 OUTLIER -106.01 -69.69 0.82 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.625 179.41 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' I' I ' 167' ' ' ASP . . . . . . . . . . . . . 46.7 p-10 -138.94 24.51 2.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.676 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 168' ' ' LEU . . . . . 0.408 ' HA ' HD13 ' I' ' 168' ' ' LEU . 2.1 mm? -101.72 132.23 47.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.789 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 169' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 -73.39 122.61 22.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.557 -179.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 170' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.005 -0.998 . . . . 0.0 110.547 179.977 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.582 ' O ' HG22 ' C' ' 4' ' ' ILE . 4.1 tpp . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -65.28 -24.8 67.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.79 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -62.45 -22.88 66.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.845 -179.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 4' ' ' ILE . . . . . 0.582 HG22 ' O ' ' C' ' 1' ' ' MET . 20.5 tt -58.75 -36.8 62.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.563 -179.691 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 5' ' ' TYR . . . . . 0.442 ' O ' HG23 ' C' ' 9' ' ' VAL . 71.4 m-85 -69.6 -40.91 76.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.875 0.369 . . . . 0.0 110.531 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 32.9 mmtm -63.1 -42.95 99.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.052 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.3 -39.11 89.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.431 178.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.83 -42.21 97.69 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.549 -179.453 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 9' ' ' VAL . . . . . 0.442 HG23 ' O ' ' C' ' 5' ' ' TYR . 57.6 t -62.2 -47.38 93.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.643 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -67.21 -40.7 86.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.743 179.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.35 -38.9 91.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.944 -179.493 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 1.2 mp -50.21 137.17 18.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.921 0.391 . . . . 0.0 110.992 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 72.1 p -77.07 165.78 24.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.522 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -61.04 -37.34 82.25 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.949 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -65.36 -41.14 94.14 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.801 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -63.58 -40.87 98.05 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.048 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 7.0 mtpt -66.19 -38.63 88.46 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.177 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -61.18 -43.02 99.54 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 119.913 -0.715 . . . . 0.0 110.369 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -63.32 -40.01 96.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.59 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 20' ' ' PHE . . . . . 0.473 ' CD1' ' C ' ' C' ' 20' ' ' PHE . 0.0 OUTLIER -61.16 -43.87 98.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.522 179.51 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -59.44 -40.97 88.52 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.731 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.55 -42.24 99.41 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.462 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.87 -41.33 99.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.744 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 24' ' ' PHE . . . . . 0.637 ' CD2' ' CE1' ' C' ' 74' ' ' PHE . 55.1 t80 -60.35 -43.35 96.59 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.322 -179.66 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -59.19 -41.14 87.81 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.058 0.456 . . . . 0.0 110.366 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 97.0 mt -68.86 -41.78 82.29 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 CA-C-O 121.044 0.45 . . . . 0.0 110.675 179.259 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -56.47 -40.05 74.21 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.957 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 33.5 m -83.28 26.09 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 120.919 -0.313 . . . . 0.0 110.878 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 1.5 pp -45.0 -31.98 1.49 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.048 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . -118.54 23.98 8.75 Favored Glycine 0 CA--C 1.529 0.928 0 N-CA-C 111.799 -0.52 . . . . 0.0 111.799 -179.363 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 31' ' ' ALA . . . . . 0.508 ' N ' ' OE2' ' C' ' 40' ' ' GLU . . . -135.89 94.25 3.04 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.158 0.504 . . . . 0.0 110.628 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -73.1 -11.11 60.43 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.173 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -83.56 -11.45 57.35 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.437 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 81.96 22.43 59.46 Favored Glycine 0 CA--C 1.522 0.489 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 35' ' ' CYS . . . . . . . . . . . . . 75.2 m -123.63 142.49 51.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.888 0.375 . . . . 0.0 110.836 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 3.4 mt -107.2 124.38 63.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.2 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 37' ' ' SER . . . . . 0.44 ' OG ' ' N ' ' C' ' 38' ' ' THR . 41.4 t -123.32 -166.17 1.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.337 -179.668 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 38' ' ' THR . . . . . 0.44 ' N ' ' OG ' ' C' ' 37' ' ' SER . 70.6 p -66.14 -29.73 70.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.719 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 39' ' ' LYS . . . . . 0.574 ' NZ ' ' CB ' ' C' ' 39' ' ' LYS . 0.0 OUTLIER -61.71 -50.74 71.23 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.656 -0.418 . . . . 0.0 110.814 -179.595 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 40' ' ' GLU . . . . . 0.508 ' OE2' ' N ' ' C' ' 31' ' ' ALA . 49.3 mt-10 -70.33 -39.3 74.81 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 120.335 -0.546 . . . . 0.0 111.12 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 1.5 tp -65.53 -39.56 91.93 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -179.354 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.77 -38.66 96.3 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.6 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.27 -42.32 93.31 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.085 0.469 . . . . 0.0 110.593 -179.368 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 65.2 t -63.37 -41.28 92.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.208 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 22.1 mmt -60.57 -40.52 91.96 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.67 -179.09 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 61.0 mtm180 -62.52 -39.19 92.78 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.143 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 7.7 mmm -62.4 -38.7 90.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.123 0.487 . . . . 0.0 110.27 179.503 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 48' ' ' LEU . . . . . 0.74 HD13 HD13 ' I' ' 148' ' ' ILE . 93.9 mt -68.39 -16.68 64.01 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.608 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 101.19 9.21 45.49 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -109.98 141.43 42.77 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.754 0.311 . . . . 0.0 110.2 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -139.9 73.43 33.47 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.702 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -77.63 -171.07 1.08 Allowed 'Trans proline' 0 C--N 1.307 -1.635 0 C-N-CA 122.786 2.324 . . . . 0.0 112.166 -179.546 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 7.9 p -92.18 154.51 43.15 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.46 -179.407 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_exo -52.15 -38.26 70.81 Favored 'Trans proline' 0 N--CA 1.497 1.721 0 C-N-CA 121.801 1.667 . . . . 0.0 112.489 179.198 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -61.82 -37.04 82.92 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.075 0.464 . . . . 0.0 111.27 -178.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -66.72 -40.95 88.62 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.053 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 82.4 mt -62.72 -40.92 98.69 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.395 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 11.5 tp-100 -66.41 -41.4 89.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.148 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -63.79 -40.01 95.62 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.791 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 8.4 mmt -60.15 -43.59 95.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.425 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 61' ' ' ILE . . . . . 0.432 HG21 ' C ' ' C' ' 70' ' ' GLY . 96.7 mt -67.85 -39.47 81.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.012 179.365 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -58.92 -39.45 81.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.573 -179.162 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -61.21 -38.78 87.79 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.535 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 46.5 t -89.97 -31.23 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.256 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 65' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' C' ' 61' ' ' ILE . 66.4 t0 -79.88 116.38 20.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.11 -178.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -76.51 -38.17 55.59 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.953 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 67' ' ' ASP . . . . . 0.41 ' OD2' ' OG ' ' C' ' 69' ' ' SER . 0.5 OUTLIER -76.53 -12.89 60.1 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.0 -179.432 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.71 14.27 67.2 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.536 -1.025 . . . . 0.0 110.536 179.219 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 69' ' ' SER . . . . . 0.41 ' OG ' ' OD2' ' C' ' 67' ' ' ASP . 98.1 p -62.16 -22.87 66.22 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 121.084 -0.247 . . . . 0.0 110.805 -179.346 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 70' ' ' GLY . . . . . 0.432 ' C ' HG21 ' C' ' 61' ' ' ILE . . . 88.18 6.13 75.36 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 58.7 p -133.83 159.26 41.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.514 0.197 . . . . 0.0 110.532 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 47.1 t -117.1 124.31 72.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 56.1 p30 -94.53 -169.97 2.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.043 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 74' ' ' PHE . . . . . 0.637 ' CE1' ' CD2' ' C' ' 24' ' ' PHE . 5.9 m-85 -60.87 -50.75 72.15 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 75' ' ' ASP . . . . . 0.406 ' O ' HG23 ' C' ' 79' ' ' VAL . 97.6 m-20 -63.02 -44.65 95.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.215 -179.218 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -65.27 -41.65 93.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.307 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -61.95 -46.04 91.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.415 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 47.7 tp -60.87 -41.48 96.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.97 -178.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 79' ' ' VAL . . . . . 0.406 HG23 ' O ' ' C' ' 75' ' ' ASP . 54.5 t -62.24 -40.27 87.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.329 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 64.8 ttp -63.52 -39.33 94.15 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.078 -179.552 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 23.2 ttt -61.85 -46.11 90.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.491 -179.451 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 66.5 t -65.41 -40.99 90.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.698 179.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 3.5 ttp85 -56.67 -43.41 80.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.367 -178.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 84' ' ' CYS . . . . . . . . . . . . . 54.1 t -61.5 -45.7 93.1 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.287 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 18.9 mmt -61.41 -28.96 69.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.443 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 67.3 mmtt -90.1 7.46 37.73 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.56 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 87' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -39.64 110.55 0.15 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.399 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -125.1 74.51 1.37 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.326 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.324 -0.505 0 CA-C-O 117.931 -1.033 . . . . 0.0 110.374 179.905 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' I' I ' 144' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' I' I ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.03 -7.24 16.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.425 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 146' ' ' VAL . . . . . . . . . . . . . 14.3 p -56.84 -29.47 30.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.578 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 147' ' ' ARG . . . . . . . . . . . . . 9.2 ptt-85 -111.79 168.06 9.87 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.498 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 148' ' ' ILE . . . . . 0.74 HD13 HD13 ' C' ' 48' ' ' LEU . 11.8 tt -86.18 163.14 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.508 -179.787 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 149' ' ' SER . . . . . . . . . . . . . 30.3 t -57.23 125.65 23.69 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.159 0.504 . . . . 0.0 110.462 -179.573 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 150' ' ' ALA . . . . . . . . . . . . . . . -62.28 -38.27 88.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.124 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 151' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -59.6 -42.53 92.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.296 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . -60.83 -43.7 97.93 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.528 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 50.6 ttm -61.87 -46.35 89.81 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.589 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 154' ' ' MET . . . . . . . . . . . . . 10.5 mmt -62.7 -39.91 95.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.696 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -60.95 -43.9 98.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.645 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . -62.22 -44.08 97.38 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.802 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 157' ' ' LEU . . . . . 0.525 ' O ' HD22 ' I' ' 158' ' ' LEU . 90.1 mt -66.17 -41.38 90.38 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 158' ' ' LEU . . . . . 0.633 HD12 ' O ' ' I' ' 160' ' ' ALA . 0.3 OUTLIER -135.46 107.52 7.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.404 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' I' I ' 159' ' ' GLY . . . . . . . . . . . . . . . -95.13 10.36 69.83 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 160' ' ' ALA . . . . . 0.633 ' O ' HD12 ' I' ' 158' ' ' LEU . . . -144.24 158.53 43.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.718 0.294 . . . . 0.0 110.708 -179.562 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 161' ' ' ARG . . . . . . . . . . . . . 44.8 mtm105 55.76 46.43 22.45 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.782 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 162' ' ' HIS . . . . . 0.538 ' CE1' ' O ' ' I' ' 163' ' ' LYS . 0.0 OUTLIER -157.06 121.27 4.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.642 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' I' I ' 163' ' ' LYS . . . . . 0.538 ' O ' ' CE1' ' I' ' 162' ' ' HIS . 46.7 mmtm -73.72 147.07 43.92 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.227 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 164' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -56.04 -21.32 20.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.728 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 165' ' ' SER . . . . . . . . . . . . . 44.5 t -94.67 -22.42 18.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.73 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 166' ' ' LEU . . . . . . . . . . . . . 2.4 tp 71.45 144.92 0.06 Allowed 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.65 -179.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 167' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -94.03 167.94 11.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.677 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 168' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -76.33 -36.46 58.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.429 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 169' ' ' ARG . . . . . . . . . . . . . 23.2 ptt-85 -124.38 115.87 21.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.28 0.562 . . . . 0.0 110.677 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 170' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.528 0 CA-C-O 118.047 -0.978 . . . . 0.0 110.277 179.906 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.546 ' SD ' ' N ' ' C' ' 1' ' ' MET . 0.8 OUTLIER . . . . . 0 N--CA 1.489 1.496 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 44.7 p-10 -68.55 -4.58 15.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.257 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 3' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' C' ' 4' ' ' ILE . 46.1 p-10 -63.36 -32.59 74.05 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.252 179.675 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 4' ' ' ILE . . . . . 0.506 ' N ' ' OD1' ' C' ' 3' ' ' ASP . 91.0 mt -62.16 -47.64 92.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 121.073 0.464 . . . . 0.0 110.849 179.729 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 5' ' ' TYR . . . . . 0.585 ' O ' HG23 ' C' ' 9' ' ' VAL . 77.0 m-85 -67.06 -40.08 87.03 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.624 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 6' ' ' LYS . . . . . 0.445 ' O ' ' OE1' ' C' ' 10' ' ' GLU . 27.5 ttmt -60.17 -47.02 87.7 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 179.711 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.36 -40.84 98.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.285 178.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.99 -41.89 99.7 Favored 'General case' 0 C--N 1.333 -0.152 0 C-N-CA 120.307 -0.557 . . . . 0.0 110.068 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 9' ' ' VAL . . . . . 0.585 HG23 ' O ' ' C' ' 5' ' ' TYR . 53.0 t -61.71 -46.85 95.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.124 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 10' ' ' GLU . . . . . 0.445 ' OE1' ' O ' ' C' ' 6' ' ' LYS . 3.5 mp0 -70.45 -38.45 74.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.765 179.645 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -70.72 -19.54 62.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.081 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 12' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' C' ' 12' ' ' LEU . 2.5 tp -54.24 148.45 11.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.924 0.392 . . . . 0.0 110.462 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 68.9 p -76.97 161.88 28.02 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.64 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -64.57 -39.41 93.69 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.354 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -62.82 -44.08 97.11 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.748 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -63.05 -40.71 98.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.153 0.502 . . . . 0.0 109.804 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 14.5 mmmt -63.11 -40.74 98.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.457 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -65.83 -39.77 91.14 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.443 -0.503 . . . . 0.0 111.264 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -62.1 -40.74 96.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.982 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -74.63 -38.61 62.47 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.096 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 24.4 ttpp -58.93 -41.41 87.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.299 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.2 -41.75 97.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.891 0.377 . . . . 0.0 110.222 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.62 -40.0 95.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.46 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 24' ' ' PHE . . . . . 0.565 ' O ' HG22 ' C' ' 28' ' ' VAL . 84.4 t80 -58.66 -45.83 88.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.098 -179.626 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -59.3 -44.02 92.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.069 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 87.0 mt -65.57 -42.94 94.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.906 179.104 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 27' ' ' PHE . . . . . 0.791 ' CE1' HG21 ' C' ' 44' ' ' VAL . 1.9 m-85 -59.44 -39.65 84.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.032 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 28' ' ' VAL . . . . . 0.644 ' O ' ' N ' ' C' ' 30' ' ' GLY . 22.1 m -94.42 34.44 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.431 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -38.32 80.28 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.89 0.744 . . . . 0.0 111.622 -179.543 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 30' ' ' GLY . . . . . 0.644 ' N ' ' O ' ' C' ' 28' ' ' VAL . . . 64.72 31.02 79.53 Favored Glycine 0 CA--C 1.528 0.853 0 N-CA-C 110.665 -0.974 . . . . 0.0 110.665 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.55 132.68 13.68 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.296 -179.301 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -62.81 -42.85 99.89 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.633 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 56.8 p-10 -85.19 -12.72 52.01 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.965 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 79.92 11.09 84.93 Favored Glycine 0 CA--C 1.52 0.379 0 N-CA-C 110.687 -0.965 . . . . 0.0 110.687 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 35' ' ' CYS . . . . . . . . . . . . . 78.4 m -133.52 164.28 27.52 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.356 -0.422 . . . . 0.0 110.776 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 80.5 mt -90.8 119.87 38.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 96.6 p -123.96 -169.2 1.91 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.915 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 73.9 p -62.39 -31.94 72.69 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.354 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -65.55 -46.49 79.29 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 121.188 0.518 . . . . 0.0 110.689 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -65.34 -39.79 92.83 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.396 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 1.4 mp -60.48 -40.31 90.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.201 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.04 -39.25 95.47 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.77 -49.81 69.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.312 0.577 . . . . 0.0 110.317 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 44' ' ' VAL . . . . . 0.791 HG21 ' CE1' ' C' ' 27' ' ' PHE . 77.3 t -62.37 -45.25 99.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.907 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 22.0 mmt -60.91 -36.98 80.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.624 -179.191 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 15.9 ttp85 -53.1 -37.14 61.47 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.126 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 97.7 mtp -63.71 -39.75 95.07 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.228 0.537 . . . . 0.0 110.304 179.354 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 97.2 mt -68.45 -21.77 64.62 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.563 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 98.93 13.03 41.29 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 89.4 mm-40 -109.34 137.4 47.26 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.064 0.459 . . . . 0.0 111.246 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 41.4 t-20 -139.17 73.75 37.25 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.408 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -77.5 -176.04 3.0 Favored 'Trans proline' 0 C--N 1.308 -1.58 0 C-N-CA 122.535 2.157 . . . . 0.0 111.924 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 74.4 p -79.69 149.41 71.12 Favored Pre-proline 0 CA--C 1.539 0.555 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.471 -179.233 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -65.66 -32.71 47.07 Favored 'Trans proline' 0 N--CA 1.495 1.587 0 C-N-CA 121.82 1.68 . . . . 0.0 112.196 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 55' ' ' GLU . . . . . 0.459 ' CG ' ' N ' ' C' ' 56' ' ' GLU . 21.5 pt-20 -65.65 -42.84 90.95 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.207 -179.098 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 56' ' ' GLU . . . . . 0.459 ' N ' ' CG ' ' C' ' 55' ' ' GLU . 1.3 pp20? -73.6 -30.23 62.87 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.149 -0.62 . . . . 0.0 109.387 -179.111 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 65.6 mt -62.62 -39.8 94.93 Favored 'General case' 0 CA--C 1.515 -0.392 0 C-N-CA 120.403 -0.519 . . . . 0.0 109.822 178.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -68.05 -39.51 83.02 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 119.755 -0.778 . . . . 0.0 109.858 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.01 -40.61 96.28 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.535 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 89.3 mtp -61.03 -43.27 99.13 Favored 'General case' 0 CA--C 1.516 -0.329 0 C-N-CA 119.915 -0.714 . . . . 0.0 110.474 178.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 61' ' ' ILE . . . . . 0.442 HG21 ' C ' ' C' ' 70' ' ' GLY . 95.2 mt -64.18 -43.2 97.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 120.33 -0.548 . . . . 0.0 110.397 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.22 -41.92 94.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.04 -179.361 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.1 -41.8 97.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.869 0.366 . . . . 0.0 110.812 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 86.5 t -80.07 -32.27 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.731 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 65' ' ' ASP . . . . . 0.503 ' OD2' ' N ' ' C' ' 69' ' ' SER . 68.0 t0 -77.5 115.44 17.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.596 -179.258 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -62.17 -39.92 94.28 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.842 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 67' ' ' ASP . . . . . 0.409 ' OD1' ' OD1' ' C' ' 65' ' ' ASP . 0.1 OUTLIER -83.76 -11.95 56.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.699 -179.638 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 66.52 23.03 71.87 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.575 -1.01 . . . . 0.0 110.575 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 69' ' ' SER . . . . . 0.503 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 65.2 m -57.9 -29.75 65.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.591 0.234 . . . . 0.0 110.756 -178.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 70' ' ' GLY . . . . . 0.442 ' C ' HG21 ' C' ' 61' ' ' ILE . . . 95.84 -4.72 66.03 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 -179.518 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 14.0 p -133.65 163.09 30.21 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 2.0 t -110.49 123.98 66.86 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 CA-C-O 121.151 0.5 . . . . 0.0 110.192 179.523 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 73' ' ' ASP . . . . . 0.444 ' H ' ' HB2' ' C' ' 76' ' ' GLU . 98.6 m-20 -93.87 178.92 5.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.298 -0.864 . . . . 0.0 109.949 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -59.93 -49.52 77.36 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.749 -178.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -66.98 -40.31 87.39 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.952 0.406 . . . . 0.0 110.914 179.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 76' ' ' GLU . . . . . 0.444 ' HB2' ' H ' ' C' ' 73' ' ' ASP . 99.1 mt-10 -63.77 -39.55 94.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.28 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -61.48 -42.3 98.58 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 179.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 13.1 mt -58.15 -44.23 87.78 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.057 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 59.3 t -63.92 -43.97 97.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 C-N-CA 120.729 -0.389 . . . . 0.0 111.207 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 14.6 tmm? -65.11 -37.7 88.31 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.042 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 81' ' ' MET . . . . . 0.472 ' O ' ' SD ' ' C' ' 81' ' ' MET . 0.0 OUTLIER -60.47 -49.15 78.72 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.605 -178.928 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 60.5 t -65.19 -41.55 91.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.969 0.414 . . . . 0.0 110.38 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -59.92 -42.58 94.21 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.556 -179.544 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 84' ' ' CYS . . . . . 0.442 ' O ' ' O ' ' C' ' 87' ' ' ASP . 50.5 t -61.28 -43.44 98.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.88 0.371 . . . . 0.0 110.219 179.22 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 21.8 mmm -57.83 -43.02 85.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.818 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 29.6 mmtm -63.6 -39.92 95.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.771 0.319 . . . . 0.0 110.746 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 87' ' ' ASP . . . . . 0.442 ' O ' ' O ' ' C' ' 84' ' ' CYS . 0.9 OUTLIER -148.46 145.68 28.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.479 179.602 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -104.78 71.8 0.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.189 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 24.1 p . . . . . 0 C--N 1.323 -0.577 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.433 179.945 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' I' I ' 144' ' ' ARG . . . . . . . . . . . . . 54.3 ttt85 . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' I' I ' 145' ' ' ARG . . . . . . . . . . . . . 31.2 mmm-85 -90.88 -1.05 57.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.81 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 146' ' ' VAL . . . . . . . . . . . . . 14.9 m -115.87 135.83 54.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.134 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 147' ' ' ARG . . . . . . . . . . . . . 85.2 mtt-85 -138.83 146.91 41.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.022 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 148' ' ' ILE . . . . . 0.913 ' O ' ' HB3' ' I' ' 152' ' ' ALA . 86.0 mt -79.96 -63.38 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.473 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 149' ' ' SER . . . . . 0.574 ' O ' ' O ' ' I' ' 148' ' ' ILE . 9.5 t 44.81 168.66 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.782 -0.645 . . . . 0.0 112.052 179.396 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 150' ' ' ALA . . . . . . . . . . . . . . . -70.87 -42.0 70.62 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.377 179.493 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 151' ' ' ASP . . . . . 0.44 ' OD1' ' N ' ' I' ' 151' ' ' ASP . 16.4 p-10 -67.07 -49.93 63.46 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.122 -0.49 . . . . 0.0 112.092 -179.208 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 152' ' ' ALA . . . . . 0.913 ' HB3' ' O ' ' I' ' 148' ' ' ILE . . . -62.62 -39.82 95.03 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.093 -179.633 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 18.2 tpt -59.24 -47.33 85.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.457 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 154' ' ' MET . . . . . . . . . . . . . 22.5 mmt -63.5 -41.33 98.54 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.771 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -63.55 -42.9 98.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.592 -179.462 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . -62.93 -40.59 98.08 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.721 179.509 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 157' ' ' LEU . . . . . . . . . . . . . 3.6 mt -60.98 -55.98 26.52 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.01 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 158' ' ' LEU . . . . . . . . . . . . . 96.3 mt -70.2 -39.26 75.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.688 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 159' ' ' GLY . . . . . . . . . . . . . . . 78.82 -173.52 55.31 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 160' ' ' ALA . . . . . . . . . . . . . . . 47.53 -127.3 1.73 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.816 0.341 . . . . 0.0 110.56 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 161' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -131.09 150.12 52.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.549 179.661 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 162' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -135.9 143.2 44.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.91 179.409 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 163' ' ' LYS . . . . . . . . . . . . . 16.1 pttt -94.86 88.59 5.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.815 -179.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 164' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -149.86 110.08 4.17 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.966 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 165' ' ' SER . . . . . 0.41 ' O ' ' O ' ' I' ' 166' ' ' LEU . 67.8 m -90.94 1.68 56.84 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.608 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 166' ' ' LEU . . . . . 0.41 ' O ' ' O ' ' I' ' 165' ' ' SER . 8.6 mp 59.59 126.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.434 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 167' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -77.97 136.92 38.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.048 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 168' ' ' LEU . . . . . . . . . . . . . 71.7 mt 41.38 73.77 0.12 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.966 179.226 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 169' ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 -60.51 -40.42 91.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.932 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 170' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.823 179.654 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 66.8 mtt . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 53.16 37.61 25.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.459 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -63.04 -39.34 94.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.508 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 97.1 mt -60.15 -46.46 94.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.707 -179.144 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 5' ' ' TYR . . . . . 0.405 ' O ' HG23 ' C' ' 9' ' ' VAL . 82.6 m-85 -65.49 -41.13 93.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.459 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 3.2 mmtm -62.58 -47.04 85.55 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 179.405 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.07 -40.37 97.48 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.233 179.027 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.21 -43.17 99.31 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.015 -0.674 . . . . 0.0 110.033 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 9' ' ' VAL . . . . . 0.405 HG23 ' O ' ' C' ' 5' ' ' TYR . 54.6 t -62.57 -47.42 93.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.093 179.711 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -64.82 -40.06 94.58 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.834 0.35 . . . . 0.0 110.543 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -62.94 -37.07 85.56 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.904 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 2.0 mp -59.09 134.19 56.76 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-O 120.968 0.413 . . . . 0.0 110.732 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 63.8 p -78.92 166.49 22.32 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.61 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -62.37 -34.69 77.19 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.194 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -66.09 -42.14 89.69 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.656 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 -64.86 -40.94 95.93 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.353 -0.539 . . . . 0.0 109.698 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 23.4 mmtp -62.42 -40.31 96.11 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.735 179.118 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 40.0 t-20 -63.24 -42.54 99.21 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 119.747 -0.781 . . . . 0.0 110.77 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 -63.35 -38.91 92.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.84 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 20' ' ' PHE . . . . . 0.6 ' CE2' ' SD ' ' C' ' 81' ' ' MET . 3.8 m-85 -60.67 -43.9 97.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.145 0.498 . . . . 0.0 110.578 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 16.7 mtpt -62.78 -38.76 91.89 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.283 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.89 -43.42 94.79 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.306 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.2 -42.34 99.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.941 0.401 . . . . 0.0 110.197 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -61.92 -44.31 97.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.464 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 25' ' ' ASP . . . . . 0.415 ' O ' HG22 ' C' ' 28' ' ' VAL . 98.3 m-20 -59.93 -41.31 91.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.363 -179.611 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 96.8 mt -70.88 -41.22 77.2 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.659 0 CA-C-O 121.183 0.516 . . . . 0.0 110.249 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 27' ' ' PHE . . . . . 0.555 ' CZ ' HG21 ' C' ' 44' ' ' VAL . 0.4 OUTLIER -54.28 -37.41 64.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.185 -179.357 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 28' ' ' VAL . . . . . 0.415 HG22 ' O ' ' C' ' 25' ' ' ASP . 26.7 m -79.85 17.17 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.094 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 29' ' ' LEU . . . . . 0.66 HD12 ' N ' ' C' ' 30' ' ' GLY . 3.3 pp -55.38 -9.03 0.4 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.39 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 30' ' ' GLY . . . . . 0.66 ' N ' HD12 ' C' ' 29' ' ' LEU . . . -130.98 16.57 5.26 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -130.33 116.91 18.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.908 0.385 . . . . 0.0 111.532 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 32' ' ' GLU . . . . . 0.404 ' OE1' ' N ' ' C' ' 32' ' ' GLU . 18.4 pm0 -75.34 -25.1 57.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.399 179.344 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -87.8 -10.23 51.54 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.642 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.54 14.75 72.78 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 35' ' ' CYS . . . . . . . . . . . . . 81.6 m -105.94 142.61 35.35 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.525 0.202 . . . . 0.0 110.64 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 36' ' ' ILE . . . . . 0.409 ' C ' ' HG1' ' C' ' 71' ' ' THR . 31.9 mm -103.76 117.83 49.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 15.5 m -114.05 -166.13 1.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.542 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 74.8 p -63.36 -33.67 76.03 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.167 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt -61.79 -45.0 95.75 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.739 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 58.3 mp0 -69.31 -41.37 76.84 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.26 0.552 . . . . 0.0 110.672 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 41' ' ' LEU . . . . . 0.445 HD12 HD11 ' C' ' 61' ' ' ILE . 20.6 mt -62.75 -30.83 71.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.823 178.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.41 -38.0 92.83 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -70.86 -41.98 70.69 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 121.315 0.579 . . . . 0.0 109.817 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 44' ' ' VAL . . . . . 0.555 HG21 ' CZ ' ' C' ' 27' ' ' PHE . 77.2 t -61.81 -43.63 97.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.3 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 21.7 mmt -61.2 -40.39 93.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.841 -179.194 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 29.1 mtp-105 -61.7 -39.04 90.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.446 179.589 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 96.7 mmm -61.82 -38.0 86.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.141 0.496 . . . . 0.0 109.926 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 48' ' ' LEU . . . . . 0.457 HD13 ' CD1' ' I' ' 148' ' ' ILE . 96.6 mt -76.99 -2.55 34.42 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.024 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 82.6 19.1 64.56 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 111.314 -0.714 . . . . 0.0 111.314 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 29.1 mm100 -111.93 145.12 40.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.895 0.379 . . . . 0.0 110.408 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -132.05 73.1 78.54 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.443 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -76.67 -168.07 0.53 Allowed 'Trans proline' 0 C--N 1.308 -1.591 0 C-N-CA 122.678 2.252 . . . . 0.0 111.356 179.266 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 3.0 p -123.45 157.07 62.97 Favored Pre-proline 0 CA--C 1.537 0.447 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.058 -179.019 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -51.24 -36.57 57.01 Favored 'Trans proline' 0 N--CA 1.499 1.845 0 C-N-CA 121.906 1.737 . . . . 0.0 112.372 179.17 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.15 -53.37 59.06 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 112.902 0.705 . . . . 0.0 112.902 -178.724 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -71.41 -30.71 66.41 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.024 -0.67 . . . . 0.0 110.058 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 82.9 mt -64.27 -39.64 94.35 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.091 178.477 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 24.2 tm0? -64.05 -42.26 97.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.524 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -63.19 -40.6 97.96 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.298 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 66.7 mmm -60.3 -43.58 96.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.307 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 61' ' ' ILE . . . . . 0.445 HD11 HD12 ' C' ' 41' ' ' LEU . 97.0 mt -68.17 -40.53 82.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.566 179.345 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -57.72 -35.92 71.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.105 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -57.95 -42.17 84.4 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.733 -178.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 19.6 m -92.18 -27.24 4.76 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.534 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 65' ' ' ASP . . . . . 0.557 ' OD2' ' N ' ' C' ' 69' ' ' SER . 26.2 t0 -70.35 121.16 17.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.874 0.369 . . . . 0.0 110.839 -178.735 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -81.6 -41.77 21.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.088 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 67' ' ' ASP . . . . . 0.472 ' OD1' ' OD1' ' C' ' 65' ' ' ASP . 37.1 p-10 -93.04 3.25 56.06 Favored 'General case' 0 CA--C 1.52 -0.174 0 C-N-CA 120.471 -0.492 . . . . 0.0 111.807 -179.636 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 66.84 26.6 73.13 Favored Glycine 0 CA--C 1.52 0.378 0 N-CA-C 110.119 -1.192 . . . . 0.0 110.119 179.406 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 69' ' ' SER . . . . . 0.557 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 94.3 p -55.7 -23.36 28.3 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.464 -178.794 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 70' ' ' GLY . . . . . 0.403 ' N ' ' OD2' ' C' ' 65' ' ' ASP . . . 85.97 1.49 86.79 Favored Glycine 0 CA--C 1.518 0.281 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.278 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 71' ' ' THR . . . . . 0.409 ' HG1' ' C ' ' C' ' 36' ' ' ILE . 0.2 OUTLIER -146.57 163.93 34.22 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.131 0.491 . . . . 0.0 110.787 179.529 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 31.1 t -99.24 128.68 50.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.863 -179.193 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -94.22 175.53 6.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.419 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -58.01 -48.14 80.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.999 0.428 . . . . 0.0 110.732 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -62.31 -44.12 97.25 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.102 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -62.78 -39.16 93.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.724 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -58.06 -49.12 78.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.607 179.201 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 78' ' ' LEU . . . . . 0.473 ' O ' HG23 ' C' ' 82' ' ' VAL . 10.3 mt -61.47 -45.15 95.45 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.251 -0.579 . . . . 0.0 111.178 179.438 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 73.9 t -68.72 -41.06 82.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -179.337 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 15.2 tmm? -63.78 -42.38 97.78 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.19 0.519 . . . . 0.0 109.944 -179.052 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 81' ' ' MET . . . . . 0.6 ' SD ' ' CE2' ' C' ' 20' ' ' PHE . 44.0 ttm -67.41 -43.89 80.15 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.205 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 82' ' ' VAL . . . . . 0.473 HG23 ' O ' ' C' ' 78' ' ' LEU . 60.0 t -63.54 -43.04 98.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.057 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 40.3 ttt180 -60.39 -46.29 90.5 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 120.912 0.387 . . . . 0.0 110.249 -179.018 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 84' ' ' CYS . . . . . 0.453 ' O ' ' OD1' ' C' ' 87' ' ' ASP . 89.7 m -66.98 -38.27 85.74 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.875 179.231 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 16.3 ttt -58.79 -40.5 84.2 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 -178.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -91.84 -7.7 48.63 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.426 179.129 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 87' ' ' ASP . . . . . 0.453 ' OD1' ' O ' ' C' ' 84' ' ' CYS . 95.4 m-20 51.57 45.5 27.97 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.562 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 57.2 p-10 -111.54 71.22 0.74 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.388 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 51.3 p . . . . . 0 C--N 1.322 -0.596 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.398 179.776 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' I' I ' 144' ' ' ARG . . . . . . . . . . . . . 58.9 mtm180 . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' I' I ' 145' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -101.45 109.45 21.27 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.473 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 146' ' ' VAL . . . . . . . . . . . . . 15.0 p -66.93 -33.33 62.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.456 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 147' ' ' ARG . . . . . . . . . . . . . 27.9 ttp180 63.71 50.36 2.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.437 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 148' ' ' ILE . . . . . 0.457 ' CD1' HD13 ' C' ' 48' ' ' LEU . 18.4 tt -59.74 142.94 14.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.198 179.714 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 149' ' ' SER . . . . . 0.415 ' OG ' ' OD1' ' I' ' 151' ' ' ASP . 19.3 t -66.63 135.01 53.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.951 0.405 . . . . 0.0 110.315 -179.389 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 150' ' ' ALA . . . . . . . . . . . . . . . -61.44 -39.94 92.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.419 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 151' ' ' ASP . . . . . 0.579 ' OD1' ' N ' ' I' ' 152' ' ' ALA . 53.0 p-10 -64.27 -38.45 91.09 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.664 -0.415 . . . . 0.0 110.984 -179.494 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 152' ' ' ALA . . . . . 0.579 ' N ' ' OD1' ' I' ' 151' ' ' ASP . . . -62.13 -41.55 98.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.751 0.31 . . . . 0.0 110.721 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 27.4 ttt -61.78 -46.54 89.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.708 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 154' ' ' MET . . . . . . . . . . . . . 20.8 mmt -64.14 -40.13 95.51 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.813 0.34 . . . . 0.0 110.892 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 155' ' ' GLN . . . . . 0.461 HE21 ' HA ' ' I' ' 160' ' ' ALA . 13.5 tm0? -60.81 -45.84 92.84 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.965 179.378 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . -61.87 -40.52 95.67 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.823 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 157' ' ' LEU . . . . . . . . . . . . . 5.2 mp -61.59 -39.85 92.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.222 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 158' ' ' LEU . . . . . . . . . . . . . 20.7 mt -103.4 57.88 0.75 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.553 -179.305 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 159' ' ' GLY . . . . . 0.448 ' O ' ' O ' ' I' ' 155' ' ' GLN . . . 55.12 -130.79 47.8 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 179.295 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 160' ' ' ALA . . . . . 0.461 ' HA ' HE21 ' I' ' 155' ' ' GLN . . . -124.83 -11.81 7.14 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.869 0.366 . . . . 0.0 110.452 179.566 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 161' ' ' ARG . . . . . . . . . . . . . 91.4 mtm180 -72.0 143.44 49.18 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.684 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 162' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -153.46 25.71 0.52 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.57 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 163' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.95 -40.22 94.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.918 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 164' ' ' GLU . . . . . . . . . . . . . 21.1 tp10 -150.17 84.95 1.39 Allowed 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.758 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 165' ' ' SER . . . . . 0.547 ' O ' ' N ' ' I' ' 167' ' ' ASP . 90.2 p -154.2 154.48 33.57 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.782 179.361 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 166' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' I' ' 165' ' ' SER . 4.4 mt 33.96 -88.65 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.234 0 O-C-N 123.499 0.499 . . . . 0.0 111.139 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 167' ' ' ASP . . . . . 0.547 ' N ' ' O ' ' I' ' 165' ' ' SER . 59.1 t0 55.6 47.22 21.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.897 179.563 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 168' ' ' LEU . . . . . . . . . . . . . 6.3 tp -94.33 74.12 3.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.276 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 169' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -108.0 -18.74 13.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.549 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 170' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.485 -179.976 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 17.5 mmt . . . . . 0 N--CA 1.489 1.475 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 2' ' ' ASP . . . . . 0.483 ' N ' ' OD1' ' C' ' 2' ' ' ASP . 17.5 p-10 -63.1 -22.7 67.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.461 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -62.24 -39.26 92.23 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.65 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 91.4 mt -60.41 -44.87 97.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.823 -179.489 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 5' ' ' TYR . . . . . 0.425 ' O ' HG23 ' C' ' 9' ' ' VAL . 75.5 m-85 -64.82 -42.53 94.89 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.138 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 22.8 mtpp -63.32 -43.05 98.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.625 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.23 -39.05 93.17 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.949 179.359 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.29 -41.97 99.02 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.236 -0.586 . . . . 0.0 110.473 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 9' ' ' VAL . . . . . 0.425 HG23 ' O ' ' C' ' 5' ' ' TYR . 67.9 t -62.61 -47.99 90.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.865 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -68.54 -36.62 79.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.759 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -63.19 -38.23 90.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.581 -179.275 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 16.4 mt -55.98 147.39 19.87 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 71.7 p -73.72 165.29 25.37 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.582 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 56.8 mp0 -62.94 -38.31 90.53 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.206 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -64.61 -41.32 96.28 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.589 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -62.72 -43.64 98.27 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.095 0.474 . . . . 0.0 110.347 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -66.82 -37.61 84.84 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.425 178.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -60.32 -44.29 95.59 Favored 'General case' 0 N--CA 1.442 -0.853 0 C-N-CA 119.957 -0.697 . . . . 0.0 110.748 -179.465 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -63.43 -38.93 93.03 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.688 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -61.77 -43.39 98.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.285 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -62.78 -39.27 93.68 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.419 179.116 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.26 -43.78 95.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.492 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.58 -41.36 98.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.974 0.416 . . . . 0.0 109.997 179.197 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 24' ' ' PHE . . . . . 0.561 ' CD2' ' CE1' ' C' ' 74' ' ' PHE . 74.7 t80 -61.73 -44.53 96.74 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.397 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -59.81 -40.85 89.78 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.557 -179.296 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 96.7 mt -71.04 -40.92 76.43 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 CA-C-O 120.988 0.423 . . . . 0.0 110.689 179.02 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 27' ' ' PHE . . . . . 0.43 ' HB3' HD11 ' C' ' 36' ' ' ILE . 0.9 OUTLIER -55.62 -38.5 69.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 35.9 m -80.82 23.58 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.952 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 1.7 pp -45.03 -39.72 5.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.009 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . -113.86 29.09 8.0 Favored Glycine 0 CA--C 1.531 1.04 0 C-N-CA 121.393 -0.432 . . . . 0.0 112.104 -179.036 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -130.83 95.86 3.94 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 117.229 0.515 . . . . 0.0 110.395 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -72.99 -14.5 61.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.058 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -73.23 -18.42 61.24 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.654 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.98 14.63 71.88 Favored Glycine 0 CA--C 1.523 0.589 0 C-N-CA 120.473 -0.87 . . . . 0.0 110.961 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 35' ' ' CYS . . . . . . . . . . . . . 21.5 p -128.47 168.32 15.81 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.755 0.312 . . . . 0.0 110.285 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 36' ' ' ILE . . . . . 0.43 HD11 ' HB3' ' C' ' 27' ' ' PHE . 6.2 mm -119.84 132.24 70.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 121.325 0.583 . . . . 0.0 111.032 -179.424 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 5.5 t -133.08 -165.28 1.59 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.347 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 73.2 p -64.07 -33.44 75.76 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 -179.401 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -61.53 -52.32 64.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.947 0.403 . . . . 0.0 110.813 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -63.59 -38.87 92.78 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.151 -0.62 . . . . 0.0 110.386 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.59 -39.52 93.99 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.509 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.58 -40.39 98.66 Favored Glycine 0 CA--C 1.525 0.683 0 C-N-CA 120.612 -0.804 . . . . 0.0 111.205 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -64.33 -40.49 95.99 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.272 0.558 . . . . 0.0 110.442 -179.39 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 77.0 t -67.23 -40.39 84.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.691 179.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 45' ' ' MET . . . . . 0.548 ' SD ' HD21 ' C' ' 57' ' ' LEU . 18.3 mtt -58.33 -31.14 67.28 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.856 -178.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -58.27 -37.69 75.48 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.102 -0.639 . . . . 0.0 109.657 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 28.0 ttt -67.14 -32.49 73.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.723 178.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 48' ' ' LEU . . . . . 0.612 HD13 ' CD1' ' I' ' 148' ' ' ILE . 90.7 mt -80.74 -10.95 59.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.715 -179.406 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.64 30.31 40.35 Favored Glycine 0 CA--C 1.526 0.736 0 C-N-CA 120.768 -0.73 . . . . 0.0 111.444 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 76.2 mm-40 -124.63 143.87 50.48 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.93 0.395 . . . . 0.0 110.764 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -146.9 71.7 12.37 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.734 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -76.88 -167.94 0.52 Allowed 'Trans proline' 0 C--N 1.307 -1.619 0 C-N-CA 122.955 2.437 . . . . 0.0 112.002 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 1.2 p -94.9 155.74 38.82 Favored Pre-proline 0 C--N 1.323 -0.575 0 C-N-CA 120.349 -0.541 . . . . 0.0 111.443 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -55.13 -33.64 84.71 Favored 'Trans proline' 0 N--CA 1.498 1.778 0 C-N-CA 121.886 1.724 . . . . 0.0 112.399 179.049 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -63.12 -39.8 95.75 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 121.147 0.498 . . . . 0.0 110.514 -178.362 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -66.72 -41.23 88.27 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.156 -0.929 . . . . 0.0 109.65 -179.219 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 57' ' ' LEU . . . . . 0.548 HD21 ' SD ' ' C' ' 45' ' ' MET . 84.1 mt -64.02 -40.22 95.84 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.953 -1.022 . . . . 0.0 110.7 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 10.6 tp-100 -65.82 -42.5 90.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.037 -179.174 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -65.47 -38.93 91.24 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.023 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 4.9 mmm -58.17 -46.66 85.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.471 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.77 -39.21 84.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.552 179.481 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -59.3 -38.07 79.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.218 -179.253 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -60.09 -43.75 95.29 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.824 -0.35 . . . . 0.0 111.203 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 10.0 p -87.07 -30.82 5.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.035 0.445 . . . . 0.0 111.054 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 65' ' ' ASP . . . . . 0.475 ' OD2' ' N ' ' C' ' 69' ' ' SER . 64.4 t0 -83.35 109.41 17.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.831 -179.194 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -66.71 -41.25 88.27 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.067 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 67' ' ' ASP . . . . . 0.436 ' OD1' ' OD1' ' C' ' 65' ' ' ASP . 1.8 p30 -76.02 -13.5 60.23 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 120.665 -0.414 . . . . 0.0 111.158 -179.34 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 66.0 21.73 69.94 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 110.636 -0.986 . . . . 0.0 110.636 178.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 69' ' ' SER . . . . . 0.475 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 88.5 p -60.05 -20.74 59.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.767 0.318 . . . . 0.0 110.571 -179.204 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.31 3.18 90.19 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 179.575 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 82.3 p -128.12 157.15 41.55 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 47.6 t -116.43 126.03 73.71 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -100.85 -174.34 2.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.197 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 74' ' ' PHE . . . . . 0.561 ' CE1' ' CD2' ' C' ' 24' ' ' PHE . 23.3 m-85 -60.03 -46.84 88.19 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.233 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 75' ' ' ASP . . . . . 0.481 ' O ' HG23 ' C' ' 79' ' ' VAL . 5.9 m-20 -63.58 -43.77 96.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.069 0.461 . . . . 0.0 110.588 179.609 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -66.97 -39.03 87.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.826 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 77' ' ' PHE . . . . . 0.553 ' CD2' HD12 ' C' ' 78' ' ' LEU . 2.6 t80 -58.31 -49.12 78.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.727 179.336 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 78' ' ' LEU . . . . . 0.553 HD12 ' CD2' ' C' ' 77' ' ' PHE . 6.5 mp -64.49 -41.04 96.7 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.33 -0.548 . . . . 0.0 110.553 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 79' ' ' VAL . . . . . 0.481 HG23 ' O ' ' C' ' 75' ' ' ASP . 75.2 t -65.38 -38.74 83.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.24 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 12.7 tmm? -62.32 -41.67 98.74 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.192 0.52 . . . . 0.0 110.013 -179.385 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 81' ' ' MET . . . . . 0.43 ' C ' ' SD ' ' C' ' 81' ' ' MET . 1.5 tmt? -63.45 -48.09 79.17 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.561 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 75.1 t -68.1 -41.46 84.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.74 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 76.5 ttt-85 -59.31 -44.58 92.53 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.965 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 84' ' ' CYS . . . . . 0.558 ' SG ' ' N ' ' C' ' 85' ' ' MET . 9.6 p -65.19 -39.62 93.12 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.105 -179.604 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 85' ' ' MET . . . . . 0.558 ' N ' ' SG ' ' C' ' 84' ' ' CYS . 16.3 tpt -67.88 -42.1 81.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.781 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -62.56 -42.08 99.31 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 120.942 0.401 . . . . 0.0 110.532 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 87' ' ' ASP . . . . . . . . . . . . . 12.6 t70 64.05 -172.43 0.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.392 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -119.9 72.87 0.94 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.376 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 2.6 p . . . . . 0 C--N 1.324 -0.535 0 CA-C-O 118.104 -0.951 . . . . 0.0 110.757 179.804 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' I' I ' 144' ' ' ARG . . . . . . . . . . . . . 36.2 ptt-85 . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' I' I ' 145' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.73 -39.04 92.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.423 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 146' ' ' VAL . . . . . . . . . . . . . 11.9 t 44.71 73.53 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.3 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 147' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -133.14 151.23 51.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.412 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 148' ' ' ILE . . . . . 0.612 ' CD1' HD13 ' C' ' 48' ' ' LEU . 20.0 tt -138.9 130.58 36.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.43 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' I' I ' 149' ' ' SER . . . . . . . . . . . . . 66.8 m -78.19 142.29 38.06 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.575 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 150' ' ' ALA . . . . . 0.501 ' O ' ' SD ' ' I' ' 154' ' ' MET . . . -61.15 -29.37 69.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.591 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' I' I ' 151' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -59.57 -38.35 80.93 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.456 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . -60.89 -40.79 94.39 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.496 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 59.6 mtt -62.09 -44.15 97.3 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.913 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 154' ' ' MET . . . . . 0.575 ' N ' ' SD ' ' I' ' 154' ' ' MET . 0.0 OUTLIER -64.47 -42.97 95.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.854 0.359 . . . . 0.0 110.777 179.668 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -66.75 -40.99 88.5 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.446 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . -63.04 -39.83 95.9 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.736 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 157' ' ' LEU . . . . . . . . . . . . . 5.7 mt -61.95 113.51 2.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.339 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 158' ' ' LEU . . . . . . . . . . . . . 88.1 mt 39.38 -107.41 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.507 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 159' ' ' GLY . . . . . . . . . . . . . . . -146.53 32.24 1.49 Allowed Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.819 -0.912 . . . . 0.0 110.819 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 160' ' ' ALA . . . . . . . . . . . . . . . -60.36 141.26 56.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.793 0.33 . . . . 0.0 110.383 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 161' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -130.23 135.26 47.94 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.356 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' I' I ' 162' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 -110.98 126.45 54.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.453 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 163' ' ' LYS . . . . . . . . . . . . . 37.6 pttt -60.09 -25.54 65.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.716 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 164' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -57.66 116.32 3.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.442 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 165' ' ' SER . . . . . 0.533 ' C ' ' H ' ' I' ' 167' ' ' ASP . 33.8 p -105.62 55.47 0.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.498 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' I' I ' 166' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.62 -6.63 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.8 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' I' I ' 167' ' ' ASP . . . . . 0.533 ' H ' ' C ' ' I' ' 165' ' ' SER . 98.9 m-20 -60.42 -38.33 83.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' I' I ' 168' ' ' LEU . . . . . . . . . . . . . 22.8 mt -103.18 111.6 24.06 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.293 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 169' ' ' ARG . . . . . 0.559 ' O ' ' HB3' ' I' ' 170' ' ' ALA . 83.2 mtt85 39.68 -109.81 0.09 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.447 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' I' I ' 170' ' ' ALA . . . . . 0.559 ' HB3' ' O ' ' I' ' 169' ' ' ARG . . . . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 117.906 -1.045 . . . . 0.0 110.413 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 5.2 ptp . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -99.05 8.68 44.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.854 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -60.43 -40.05 89.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.059 -179.55 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 46.1 mm -64.43 -44.81 97.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.391 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 5' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -66.13 -38.66 88.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.317 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 36.4 mtpt -56.81 -49.16 76.2 Favored 'General case' 0 CA--C 1.513 -0.447 0 C-N-CA 120.434 -0.506 . . . . 0.0 109.689 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.7 -40.78 98.21 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.374 179.288 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.55 -44.09 95.17 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 119.788 -0.765 . . . . 0.0 110.12 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 65.5 t -67.81 -47.0 81.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.14 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 72.6 tt0 -61.6 -33.1 73.32 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.32 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 43.2 tp60 -60.48 -35.92 77.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.084 -179.358 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 12' ' ' LEU . . . . . 0.412 ' CB ' ' HZ3' ' C' ' 17' ' ' LYS . 5.7 mp -50.24 170.69 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.439 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 59.0 p -99.05 163.53 12.54 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.222 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.54 -39.02 92.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.727 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -67.24 -45.02 77.99 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.634 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -61.52 -42.04 98.21 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 17' ' ' LYS . . . . . 0.412 ' HZ3' ' CB ' ' C' ' 12' ' ' LEU . 17.6 mtmm -64.75 -37.64 88.28 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.058 178.765 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -60.79 -43.51 98.02 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 119.623 -0.831 . . . . 0.0 110.688 -178.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -65.43 -38.67 90.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.138 0.494 . . . . 0.0 110.73 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -62.87 -41.34 99.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.551 -179.207 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 5.4 tttp -62.22 -39.98 94.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.112 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.86 -41.24 95.5 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.548 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.01 -39.29 91.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.267 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 24' ' ' PHE . . . . . 0.621 ' CD2' ' CE1' ' C' ' 74' ' ' PHE . 82.2 t80 -58.74 -46.22 87.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.091 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -58.42 -45.17 88.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.403 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.59 -41.9 91.73 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 CA-C-O 121.078 0.466 . . . . 0.0 110.471 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -53.0 -39.43 63.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.829 -179.569 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 28' ' ' VAL . . . . . 0.566 ' HB ' ' HB3' ' C' ' 31' ' ' ALA . 27.3 m -84.3 25.25 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.08 -179.418 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 29' ' ' LEU . . . . . 0.425 HD12 ' N ' ' C' ' 30' ' ' GLY . 1.7 pp -42.44 -42.19 3.17 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.509 179.491 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 30' ' ' GLY . . . . . 0.425 ' N ' HD12 ' C' ' 29' ' ' LEU . . . -105.47 15.84 45.51 Favored Glycine 0 CA--C 1.53 1.017 0 C-N-CA 121.25 -0.5 . . . . 0.0 112.421 -179.204 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 31' ' ' ALA . . . . . 0.566 ' HB3' ' HB ' ' C' ' 28' ' ' VAL . . . -117.46 102.68 9.41 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 117.307 0.553 . . . . 0.0 111.305 -179.338 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -71.39 -20.34 62.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.463 179.284 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -70.46 -19.25 62.98 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.491 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.77 11.15 82.11 Favored Glycine 0 CA--C 1.521 0.429 0 N-CA-C 110.601 -0.999 . . . . 0.0 110.601 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 35' ' ' CYS . . . . . . . . . . . . . 79.3 m -119.54 147.05 44.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.946 0.403 . . . . 0.0 110.649 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 96.7 mt -94.22 127.05 46.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.066 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 22.2 t -136.43 -164.87 1.63 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.153 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 73.2 p -63.64 -29.74 70.94 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.496 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 64.8 mmtt -62.22 -47.24 85.3 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.007 0.432 . . . . 0.0 110.763 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -68.49 -40.38 80.92 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 121.24 0.543 . . . . 0.0 110.306 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 1.6 mp -67.7 -34.91 77.81 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.025 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.44 -41.28 99.5 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -66.33 -40.96 90.22 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-O 121.265 0.555 . . . . 0.0 110.346 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 54.6 t -62.12 -45.34 98.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.743 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 19.8 mmt -61.57 -40.54 95.11 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.748 -179.178 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -62.99 -41.03 99.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.523 -179.384 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 61.0 ttp -62.23 -38.14 88.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.156 0.503 . . . . 0.0 110.238 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 89.6 mt -64.56 -17.69 64.17 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.514 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 93.47 14.76 52.77 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 26.4 mm100 -105.32 145.91 30.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.763 0.316 . . . . 0.0 110.158 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -134.89 66.64 68.98 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.542 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_endo -77.36 -171.56 1.2 Allowed 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 123.198 2.599 . . . . 0.0 111.934 179.388 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.02 153.66 41.8 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.059 -179.504 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -60.24 -28.99 88.01 Favored 'Trans proline' 0 N--CA 1.5 1.898 0 C-N-CA 122.762 2.308 . . . . 0.0 112.844 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -61.81 -37.24 83.69 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.374 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -66.28 -40.16 89.87 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.183 -179.269 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 57' ' ' LEU . . . . . 0.45 HD12 ' N ' ' C' ' 57' ' ' LEU . 11.0 mp -60.72 -41.85 96.12 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.157 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -67.29 -41.05 86.08 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.059 -0.656 . . . . 0.0 110.176 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -61.9 -39.98 93.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.04 -179.454 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 17.0 tpt -61.02 -46.21 91.68 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 96.4 mt -68.43 -39.67 81.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.681 179.298 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 62' ' ' ASP . . . . . 0.415 ' OD1' ' O ' ' C' ' 62' ' ' ASP . 65.2 t0 -55.71 -35.97 66.69 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.078 -179.141 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -57.11 -29.82 63.86 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.133 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 15.5 t -106.66 -30.97 2.56 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 65' ' ' ASP . . . . . 0.541 ' OD2' ' N ' ' C' ' 71' ' ' THR . 9.1 m-20 -81.44 91.58 6.33 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 121.093 0.473 . . . . 0.0 111.081 -179.511 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -63.95 -37.42 87.36 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.421 179.314 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 57.7 p30 -74.67 -11.41 60.17 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.005 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 69.57 14.96 70.3 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 110.756 -0.937 . . . . 0.0 110.756 179.181 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 96.9 p -61.82 -21.67 64.83 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 121.0 -0.28 . . . . 0.0 110.826 -179.302 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 79.97 12.34 83.5 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 71' ' ' THR . . . . . 0.541 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 60.4 p -128.4 154.05 46.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.887 0.375 . . . . 0.0 110.736 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 71.3 t -120.82 124.64 72.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.592 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -102.21 -172.05 2.07 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.354 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 74' ' ' PHE . . . . . 0.621 ' CE1' ' CD2' ' C' ' 24' ' ' PHE . 49.5 m-85 -60.17 -43.32 95.91 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.666 -0.414 . . . . 0.0 111.053 -179.701 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -64.35 -50.98 65.61 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.941 0.401 . . . . 0.0 110.809 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.87 -37.98 87.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.354 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -57.07 -48.36 78.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.935 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 90.1 mt -62.74 -40.75 98.19 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.251 -0.58 . . . . 0.0 110.302 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 67.2 t -65.55 -40.1 87.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.429 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 15.6 tmm? -62.57 -40.59 97.34 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-O 121.343 0.592 . . . . 0.0 110.049 -179.31 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 8.4 tpt -65.75 -45.01 84.21 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.451 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 63.9 t -64.8 -42.83 95.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.734 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 58.7 ttt85 -60.51 -43.65 96.84 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 121.018 0.437 . . . . 0.0 110.206 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 84' ' ' CYS . . . . . . . . . . . . . 89.3 m -62.78 -39.9 95.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.666 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 13.3 tpt -60.5 -42.61 96.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.647 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -88.72 -4.77 58.45 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.572 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 87' ' ' ASP . . . . . 0.484 ' O ' ' N ' ' C' ' 89' ' ' SER . 66.0 m-20 47.96 -102.5 0.09 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.834 179.48 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -64.93 71.41 0.03 OUTLIER 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 121.329 0.585 . . . . 0.0 110.326 -179.456 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 89' ' ' SER . . . . . 0.484 ' N ' ' O ' ' C' ' 87' ' ' ASP . 2.7 m . . . . . 0 C--N 1.318 -0.769 0 CA-C-N 114.866 -1.061 . . . . 0.0 110.726 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 144' ' ' ARG . . . . . 0.52 ' O ' ' N ' ' I' ' 146' ' ' VAL . 21.8 mtm-85 . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 145' ' ' ARG . . . . . 0.561 ' C ' HG23 ' I' ' 146' ' ' VAL . 0.2 OUTLIER 62.95 -67.32 0.09 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.644 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' I' I ' 146' ' ' VAL . . . . . 0.561 HG23 ' C ' ' I' ' 145' ' ' ARG . 1.9 t 70.47 11.2 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.504 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 147' ' ' ARG . . . . . . . . . . . . . 47.2 mmm-85 -75.56 -99.39 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.119 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 148' ' ' ILE . . . . . . . . . . . . . 96.1 mt -106.24 113.43 42.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 121.042 0.449 . . . . 0.0 110.538 179.615 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 149' ' ' SER . . . . . . . . . . . . . 40.4 t -72.95 147.74 44.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.601 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 150' ' ' ALA . . . . . . . . . . . . . . . -59.78 -39.66 85.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.493 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 151' ' ' ASP . . . . . 0.42 ' OD1' ' CE1' ' I' ' 162' ' ' HIS . 63.8 t0 -60.24 -47.65 85.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.726 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . -63.24 -40.53 97.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.994 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 14.6 tpt -60.91 -46.67 89.75 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 121.216 0.532 . . . . 0.0 110.478 -179.345 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 154' ' ' MET . . . . . 0.487 ' O ' ' O ' ' I' ' 157' ' ' LEU . 21.6 mmt -63.57 -41.11 98.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.234 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -65.18 -39.05 92.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.848 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . -60.28 -40.53 90.76 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.206 -179.508 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 157' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' I' ' 159' ' ' GLY . 0.7 OUTLIER -130.89 -150.1 0.42 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.287 -179.624 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' I' I ' 158' ' ' LEU . . . . . . . . . . . . . 6.5 tp 50.68 -88.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.816 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 159' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' I' ' 157' ' ' LEU . . . -133.72 127.39 4.61 Favored Glycine 0 CA--C 1.521 0.454 0 N-CA-C 110.766 -0.933 . . . . 0.0 110.766 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 160' ' ' ALA . . . . . . . . . . . . . . . -62.18 -39.61 93.28 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.793 0.33 . . . . 0.0 110.499 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 161' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -101.94 123.2 45.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.392 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 162' ' ' HIS . . . . . 0.42 ' CE1' ' OD1' ' I' ' 151' ' ' ASP . 7.2 p80 -161.16 163.61 31.14 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 178.484 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 163' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -114.29 153.79 29.1 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 164' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -39.9 126.95 2.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.934 0.397 . . . . 0.0 110.906 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 165' ' ' SER . . . . . . . . . . . . . 11.9 t -101.61 -52.87 3.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.07 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 166' ' ' LEU . . . . . 0.423 ' H ' HD23 ' I' ' 166' ' ' LEU . 0.1 OUTLIER -87.08 84.68 7.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.23 -179.428 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' I' I ' 167' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -86.09 -9.69 56.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.08 0.467 . . . . 0.0 110.302 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 168' ' ' LEU . . . . . . . . . . . . . 29.0 mt -77.7 157.86 29.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.78 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 169' ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -61.25 -38.31 86.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.118 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 170' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 118.024 -0.988 . . . . 0.0 111.076 179.663 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 12.0 ptm . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 2' ' ' ASP . . . . . 0.643 ' OD2' HD12 ' C' ' 4' ' ' ILE . 53.5 p-10 -76.28 169.75 17.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.822 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 48.0 p30 -64.58 -14.28 57.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.332 -179.139 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 4' ' ' ILE . . . . . 0.643 HD12 ' OD2' ' C' ' 2' ' ' ASP . 97.1 mt -63.72 -39.61 86.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.054 0.454 . . . . 0.0 110.346 179.165 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 5' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -60.0 -44.22 94.69 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.981 -179.205 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt -61.62 -45.41 94.18 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.254 -0.578 . . . . 0.0 110.211 179.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.5 -39.01 91.37 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.6 178.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.76 -43.4 98.9 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.031 -0.668 . . . . 0.0 110.08 -179.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 56.0 t -61.52 -47.54 92.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.252 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -65.83 -33.73 76.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.234 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -61.35 -36.62 80.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.258 -179.203 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 93.5 mt -39.58 147.71 0.08 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.039 0.447 . . . . 0.0 110.898 179.56 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 13' ' ' THR . . . . . 0.45 ' OG1' ' OE1' ' C' ' 16' ' ' GLN . 70.3 p -76.11 168.83 19.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.907 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -61.63 -28.9 69.7 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.619 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -71.54 -48.17 50.33 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.912 179.18 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 16' ' ' GLN . . . . . 0.45 ' OE1' ' OG1' ' C' ' 13' ' ' THR . 7.0 mp0 -61.8 -33.52 74.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.14 179.411 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.1 -41.59 34.7 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.95 178.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -64.7 -41.42 96.03 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.058 -0.657 . . . . 0.0 111.288 -179.249 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 19' ' ' GLU . . . . . 0.43 ' CD ' ' N ' ' C' ' 20' ' ' PHE . 3.0 pp20? -70.21 -38.75 75.35 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.293 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 20' ' ' PHE . . . . . 0.481 ' CD1' ' C ' ' C' ' 20' ' ' PHE . 0.0 OUTLIER -54.23 -51.26 65.02 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.691 179.351 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 21' ' ' LYS . . . . . 0.401 ' N ' ' CG ' ' C' ' 20' ' ' PHE . 13.0 tttm -59.45 -48.01 83.3 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.565 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.26 -41.41 99.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.077 0.465 . . . . 0.0 110.402 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.62 -39.73 94.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.782 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 24' ' ' PHE . . . . . 0.619 ' CD2' ' CE1' ' C' ' 74' ' ' PHE . 50.5 t80 -60.82 -42.55 97.91 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.148 -179.3 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -59.95 -44.4 94.43 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.961 0.41 . . . . 0.0 110.416 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 97.3 mt -67.34 -41.55 86.52 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.635 0 CA-C-O 121.259 0.552 . . . . 0.0 110.265 178.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.51 -41.16 76.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.805 -179.649 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 28' ' ' VAL . . . . . 0.48 ' HB ' ' HB3' ' C' ' 31' ' ' ALA . 26.4 m -89.46 28.61 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.046 -179.467 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 2.1 pp -43.06 -41.77 3.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.22 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . -107.1 15.55 39.69 Favored Glycine 0 CA--C 1.525 0.676 0 C-N-CA 121.376 -0.44 . . . . 0.0 112.075 -178.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 31' ' ' ALA . . . . . 0.48 ' HB3' ' HB ' ' C' ' 28' ' ' VAL . . . -125.01 86.08 2.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.32 0.581 . . . . 0.0 110.44 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -65.5 -22.91 66.78 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.305 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -69.96 -17.6 63.32 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.383 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 84.57 18.33 62.22 Favored Glycine 0 CA--C 1.52 0.347 0 N-CA-C 110.759 -0.936 . . . . 0.0 110.759 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 35' ' ' CYS . . . . . . . . . . . . . 74.6 m -118.61 143.34 46.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.674 0.273 . . . . 0.0 110.298 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 65.8 mt -114.72 123.86 70.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.847 -179.344 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 2.1 m -134.29 -167.82 2.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.829 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 67.6 p -64.76 -27.03 68.62 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.4 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 39' ' ' LYS . . . . . 0.435 ' CG ' ' N ' ' C' ' 40' ' ' GLU . 54.9 pttt -62.74 -40.75 98.21 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.846 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 40' ' ' GLU . . . . . 0.435 ' N ' ' CG ' ' C' ' 39' ' ' LYS . 0.7 OUTLIER -84.31 -38.19 20.72 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.017 0.436 . . . . 0.0 110.537 179.642 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.05 -24.23 62.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.194 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.14 -34.8 81.31 Favored Glycine 0 CA--C 1.529 0.915 0 N-CA-C 110.56 -1.016 . . . . 0.0 110.56 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -84.7 -35.85 22.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.011 0.434 . . . . 0.0 110.82 179.682 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 79.9 t -62.52 -45.23 99.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.723 -179.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 20.6 ptt? -64.87 -32.36 74.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.137 -179.052 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 9.5 tmm_? -61.01 -45.13 96.04 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.273 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 59.9 ttm -61.34 -40.91 96.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.107 0.479 . . . . 0.0 109.959 179.327 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 96.3 mt -68.86 -8.64 45.71 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.737 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.98 24.35 64.43 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 60.8 mm-40 -115.86 133.15 56.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.836 0.35 . . . . 0.0 110.566 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 33.2 m120 -130.23 68.21 80.84 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.107 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -73.78 -171.07 0.78 Allowed 'Trans proline' 0 C--N 1.307 -1.605 0 C-N-CA 122.803 2.335 . . . . 0.0 111.534 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 1.2 p -94.96 156.68 37.7 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.194 -179.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -52.92 -38.47 79.26 Favored 'Trans proline' 0 N--CA 1.503 2.056 0 C-N-CA 122.227 1.951 . . . . 0.0 113.131 179.411 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -62.52 -37.91 87.91 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-O 121.275 0.56 . . . . 0.0 111.101 -178.524 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -65.93 -41.88 90.81 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.87 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 96.1 mt -62.82 -40.44 97.38 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.085 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -64.93 -43.11 93.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.27 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -65.26 -37.93 88.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.012 179.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 67.5 mtp -59.62 -44.72 93.36 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.441 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 61' ' ' ILE . . . . . 0.419 HG21 ' C ' ' C' ' 70' ' ' GLY . 97.1 mt -70.83 -42.17 77.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.663 179.166 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -57.11 -37.04 71.39 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.216 -179.129 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -62.42 -41.74 98.92 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 33.3 m -97.29 -12.41 8.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 C-N-CA 120.547 -0.461 . . . . 0.0 111.382 -179.044 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 65' ' ' ASP . . . . . 0.586 ' CG ' ' H ' ' C' ' 68' ' ' GLY . 66.4 t0 -75.52 127.06 32.26 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.892 0.377 . . . . 0.0 110.756 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -79.43 -27.6 41.7 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.022 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.19 -11.47 17.24 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.486 -179.554 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 68' ' ' GLY . . . . . 0.586 ' H ' ' CG ' ' C' ' 65' ' ' ASP . . . 69.09 15.09 69.25 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.616 -0.994 . . . . 0.0 110.616 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 69' ' ' SER . . . . . 0.529 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 90.3 p -62.36 -20.31 64.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.677 0.275 . . . . 0.0 110.663 -179.498 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 70' ' ' GLY . . . . . 0.419 ' C ' HG21 ' C' ' 61' ' ' ILE . . . 91.75 7.96 64.14 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.728 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 72.4 p -129.67 155.48 45.79 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.745 0.307 . . . . 0.0 110.524 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 72.8 t -122.17 123.26 68.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.563 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 73' ' ' ASP . . . . . 0.41 ' H ' ' HB2' ' C' ' 76' ' ' GLU . 2.9 t0 -106.83 -167.52 1.29 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.012 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 74' ' ' PHE . . . . . 0.619 ' CE1' ' CD2' ' C' ' 24' ' ' PHE . 38.1 m-85 -60.49 -47.75 84.79 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -179.354 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -64.37 -44.77 90.35 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.046 0.45 . . . . 0.0 111.064 -179.452 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 76' ' ' GLU . . . . . 0.41 ' HB2' ' H ' ' C' ' 73' ' ' ASP . 61.3 mt-10 -67.2 -39.62 86.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.297 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -59.92 -47.61 85.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.872 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 78' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' C' ' 78' ' ' LEU . 84.5 mt -62.21 -41.93 98.83 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.47 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 66.7 t -66.11 -40.43 87.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.357 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 14.7 tmm? -63.41 -39.68 95.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.226 0.536 . . . . 0.0 110.087 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -66.39 -48.0 71.51 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.259 -179.622 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 78.9 t -66.59 -40.7 86.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.035 179.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 50.3 ttt85 -59.65 -43.61 93.85 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 120.904 0.383 . . . . 0.0 110.275 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 84' ' ' CYS . . . . . . . . . . . . . 53.8 t -59.69 -48.86 80.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.525 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 27.0 ttt -63.68 -45.17 91.28 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.632 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 27.5 ttpp -63.79 -40.67 97.22 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.969 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 87' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -49.5 135.12 18.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.604 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 54.0 p-10 -119.74 72.0 0.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.377 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.959 -1.02 . . . . 0.0 110.417 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 144' ' ' ARG . . . . . . . . . . . . . 1.4 tpp180 . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' I' I ' 145' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -61.29 -20.25 62.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.643 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 146' ' ' VAL . . . . . . . . . . . . . 74.9 t -62.26 -43.37 97.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.873 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 147' ' ' ARG . . . . . . . . . . . . . 36.0 mtp85 -110.37 129.17 55.81 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.923 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 148' ' ' ILE . . . . . 0.47 ' O ' ' HB3' ' I' ' 152' ' ' ALA . 15.8 tt -64.92 -32.6 58.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.436 179.728 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 149' ' ' SER . . . . . . . . . . . . . 79.2 p 39.44 -138.74 0.07 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.532 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 150' ' ' ALA . . . . . . . . . . . . . . . -125.47 -45.71 1.79 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.658 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 151' ' ' ASP . . . . . 0.488 ' OD1' ' N ' ' I' ' 151' ' ' ASP . 15.1 p-10 -60.89 -37.49 82.39 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.795 0.331 . . . . 0.0 110.764 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 152' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' I' ' 148' ' ' ILE . . . -61.97 -42.32 99.0 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.214 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 2.9 ptt? -68.91 -34.66 75.76 Favored 'General case' 0 C--O 1.232 0.148 0 C-N-CA 120.33 -0.548 . . . . 0.0 109.956 -179.443 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 154' ' ' MET . . . . . . . . . . . . . 56.0 mtt -62.05 -41.62 98.33 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.441 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -63.64 -41.19 98.27 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.59 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . -61.65 -45.69 92.97 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.341 -0.544 . . . . 0.0 110.93 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 157' ' ' LEU . . . . . . . . . . . . . 96.9 mt -71.85 -39.98 69.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.021 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 158' ' ' LEU . . . . . . . . . . . . . 51.7 mt -114.04 -88.83 0.55 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.811 -179.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 159' ' ' GLY . . . . . . . . . . . . . . . 78.54 102.8 0.21 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.674 -0.97 . . . . 0.0 110.674 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 160' ' ' ALA . . . . . . . . . . . . . . . -160.72 -156.12 0.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.009 0.433 . . . . 0.0 110.565 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 161' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 -69.01 -6.19 26.4 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.319 179.451 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 162' ' ' HIS . . . . . 0.435 ' ND1' ' C ' ' I' ' 162' ' ' HIS . 0.7 OUTLIER -64.35 -15.11 59.77 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.583 -0.447 . . . . 0.0 109.993 -179.852 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' I' I ' 163' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.32 -13.01 0.76 Allowed 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.007 -179.197 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 164' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -59.77 -43.92 94.11 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.436 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 165' ' ' SER . . . . . . . . . . . . . 97.7 p -172.42 169.22 5.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.938 0.399 . . . . 0.0 111.133 179.321 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 166' ' ' LEU . . . . . 0.431 HD12 ' ND1' ' I' ' 162' ' ' HIS . 0.9 OUTLIER -177.6 -70.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.621 179.245 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' I' I ' 167' ' ' ASP . . . . . . . . . . . . . 57.7 p-10 -102.45 15.28 29.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.024 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 168' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.39 -46.37 76.86 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.81 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 169' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -123.47 111.06 15.87 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.026 0.441 . . . . 0.0 110.393 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 170' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.371 -179.969 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 25.8 tpp . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 54.0 p-10 -65.46 -13.96 59.92 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.627 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -61.04 -38.51 86.42 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.27 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.22 -40.59 88.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.291 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 5' ' ' TYR . . . . . 0.477 ' OH ' HG12 ' C' ' 79' ' ' VAL . 88.8 t80 -58.47 -47.71 83.15 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.451 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -59.79 -46.06 90.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.134 0.492 . . . . 0.0 109.7 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.79 -35.15 78.95 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.753 179.384 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.43 -43.08 97.14 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.315 -0.554 . . . . 0.0 110.485 -178.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 54.5 t -64.74 -48.71 83.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.289 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.69 -32.4 73.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.423 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -60.39 -25.05 65.6 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.467 -179.279 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 90.3 mt -56.95 134.73 55.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.999 0.428 . . . . 0.0 110.494 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 66.2 p -78.83 167.46 21.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.407 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -61.12 -39.53 90.35 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.968 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 60.8 mp0 -66.03 -39.88 90.58 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.545 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 79.9 mm-40 -61.92 -42.03 98.63 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.3 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 43.1 mttp -66.74 -37.4 84.57 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.104 179.267 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -61.86 -41.0 97.29 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 119.846 -0.741 . . . . 0.0 110.535 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -63.76 -37.46 87.43 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.491 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -62.32 -41.7 98.76 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.097 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 21.1 ttmt -60.68 -41.61 95.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.699 178.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.62 -43.69 93.71 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.384 -0.526 . . . . 0.0 110.365 -179.293 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.37 -41.69 98.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.199 179.267 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -62.97 -42.12 99.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.609 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 25' ' ' ASP . . . . . 0.431 ' O ' HG22 ' C' ' 28' ' ' VAL . 46.1 t0 -59.77 -41.02 90.17 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.115 0.483 . . . . 0.0 110.218 -179.673 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 96.4 mt -73.19 -39.69 56.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.13 0.49 . . . . 0.0 110.232 178.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 27' ' ' PHE . . . . . 0.404 ' O ' ' OE2' ' C' ' 40' ' ' GLU . 0.5 OUTLIER -54.66 -37.55 65.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.94 -179.481 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 28' ' ' VAL . . . . . 0.431 HG22 ' O ' ' C' ' 25' ' ' ASP . 27.8 m -78.33 19.73 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.272 -179.588 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 29' ' ' LEU . . . . . 0.402 HD12 ' N ' ' C' ' 30' ' ' GLY . 2.4 pp -42.96 -39.82 2.74 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.101 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 30' ' ' GLY . . . . . 0.402 ' N ' HD12 ' C' ' 29' ' ' LEU . . . -114.34 27.3 9.05 Favored Glycine 0 CA--C 1.527 0.82 0 C-N-CA 121.385 -0.436 . . . . 0.0 112.077 -179.201 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 31' ' ' ALA . . . . . 0.475 ' N ' ' OE1' ' C' ' 40' ' ' GLU . . . -133.79 97.56 3.94 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 117.061 0.431 . . . . 0.0 110.769 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -71.85 -17.05 62.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.504 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -75.02 -16.41 60.61 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.754 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.25 19.03 63.33 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 35' ' ' CYS . . . . . 0.473 ' C ' HD13 ' C' ' 36' ' ' ILE . 30.7 p -138.52 157.83 45.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.927 0.394 . . . . 0.0 110.207 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 36' ' ' ILE . . . . . 0.552 HD13 ' N ' ' C' ' 36' ' ' ILE . 1.4 mm -99.79 129.92 49.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.987 0.422 . . . . 0.0 109.958 -179.304 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 39.2 t -138.39 178.95 6.76 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.734 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 68.4 p -58.28 -26.45 62.99 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.295 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 5.4 tmtp? -65.35 -57.1 9.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.501 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 40' ' ' GLU . . . . . 0.475 ' OE1' ' N ' ' C' ' 31' ' ' ALA . 34.2 tt0 -66.52 -39.73 88.8 Favored 'General case' 0 C--N 1.333 -0.123 0 C-N-CA 120.566 -0.454 . . . . 0.0 111.175 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 1.7 tp -57.26 -32.01 66.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.702 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.96 -39.96 97.75 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 -179.461 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp -71.61 -40.96 69.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.302 0.572 . . . . 0.0 110.542 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 74.9 t -64.57 -44.25 96.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.392 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 20.0 mmt -62.39 -39.39 93.04 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.794 -179.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 4.6 mtm180 -59.88 -41.06 90.75 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.524 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 16.1 tpt -62.72 -38.49 90.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.101 0.477 . . . . 0.0 110.24 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 96.4 mt -65.07 -23.14 67.08 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.506 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.92 20.62 10.41 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.286 -0.726 . . . . 0.0 111.286 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 28.6 mm100 -121.91 144.79 48.65 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.824 0.345 . . . . 0.0 110.443 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -130.21 70.29 82.18 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.478 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -75.48 -166.32 0.35 Allowed 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 122.927 2.418 . . . . 0.0 111.335 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 17.2 p -120.13 152.56 54.65 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.227 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -47.86 -39.73 31.88 Favored 'Trans proline' 0 N--CA 1.496 1.663 0 C-N-CA 122.036 1.824 . . . . 0.0 112.371 179.124 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 55' ' ' GLU . . . . . 0.405 ' HG2' ' H ' ' C' ' 55' ' ' GLU . 1.2 pt-20 -61.18 -42.91 99.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.968 0.413 . . . . 0.0 111.174 -179.614 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -64.88 -41.36 95.7 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.429 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 89.7 mt -66.97 -38.92 86.96 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.207 -179.367 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.15 -40.86 97.07 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.403 -179.719 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.79 -43.97 97.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.922 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 60.6 mtt -62.89 -43.67 98.18 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.05 0.452 . . . . 0.0 110.466 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 92.2 mt -65.08 -39.06 84.36 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.735 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -58.46 -40.89 83.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.351 -179.136 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -64.43 -41.43 96.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.957 0.408 . . . . 0.0 110.58 178.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 96.7 t -76.73 -33.01 21.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.858 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 65' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -84.86 120.26 26.26 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.93 0.395 . . . . 0.0 111.015 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 25.9 pt-20 -78.14 -20.97 51.0 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.601 179.272 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 45.7 p30 -98.51 -8.89 25.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.274 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 67.29 20.74 71.62 Favored Glycine 0 CA--C 1.52 0.387 0 N-CA-C 110.527 -1.029 . . . . 0.0 110.527 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 92.2 p -59.09 -33.14 70.48 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.82 -179.337 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 95.87 -0.13 62.49 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 72.6 p -136.74 161.22 36.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.67 0.271 . . . . 0.0 110.632 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 95.5 t -111.41 119.43 59.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.363 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 56.4 p30 -98.22 -172.3 2.32 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.462 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.8 -51.47 68.83 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.683 -179.655 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -61.99 -45.51 93.32 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.233 -179.321 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -68.31 -31.28 70.59 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.521 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -65.46 -46.71 78.78 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.8 178.419 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.99 -49.26 78.36 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.605 -178.753 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 79' ' ' VAL . . . . . 0.477 HG12 ' OH ' ' C' ' 5' ' ' TYR . 35.7 m -67.26 -30.11 48.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.1 -179.513 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 80' ' ' MET . . . . . 0.424 ' O ' ' SG ' ' C' ' 84' ' ' CYS . 65.4 ttp -63.55 -42.36 98.37 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 17.4 tpt -66.36 -46.29 77.24 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.773 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 75.9 t -64.57 -46.72 91.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.136 -179.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -63.39 -41.04 98.75 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.686 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 84' ' ' CYS . . . . . 0.424 ' SG ' ' O ' ' C' ' 80' ' ' MET . 96.1 m -65.19 -40.42 94.2 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.677 179.631 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 27.9 ttt -60.8 -48.62 80.96 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.851 -179.489 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 13.6 pttp -80.79 -23.0 39.58 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.954 0.407 . . . . 0.0 110.63 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 87' ' ' ASP . . . . . . . . . . . . . 9.4 t0 73.26 138.28 0.05 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.957 -179.536 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -89.36 72.04 8.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.085 0.469 . . . . 0.0 110.248 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 25.1 p . . . . . 0 C--N 1.32 -0.71 0 CA-C-O 117.934 -1.031 . . . . 0.0 110.348 179.805 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' I' I ' 144' ' ' ARG . . . . . . . . . . . . . 4.5 ttm-85 . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' I' I ' 145' ' ' ARG . . . . . . . . . . . . . 34.3 ptt-85 -140.29 143.33 35.82 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.54 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 146' ' ' VAL . . . . . . . . . . . . . 70.1 t -98.51 -50.68 10.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.601 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 147' ' ' ARG . . . . . . . . . . . . . 75.8 mtp180 -90.19 143.85 26.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.707 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 148' ' ' ILE . . . . . . . . . . . . . 88.1 mt -71.75 130.23 35.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.44 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 149' ' ' SER . . . . . . . . . . . . . 65.8 m -99.6 144.2 28.96 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.691 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 150' ' ' ALA . . . . . . . . . . . . . . . -61.24 -39.59 90.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.365 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 151' ' ' ASP . . . . . 0.543 ' OD1' ' N ' ' I' ' 152' ' ' ALA . 3.0 p30 -60.27 -43.37 96.25 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.6 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' I' I ' 152' ' ' ALA . . . . . 0.543 ' N ' ' OD1' ' I' ' 151' ' ' ASP . . . -62.86 -39.88 95.77 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.477 179.265 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 5.9 tpt -62.17 -44.54 96.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.306 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 154' ' ' MET . . . . . . . . . . . . . 32.4 mmt -64.23 -38.82 92.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.767 179.358 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -60.26 -43.16 96.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.243 -179.308 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . -62.72 -40.4 97.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.515 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 157' ' ' LEU . . . . . . . . . . . . . 6.4 mp -69.03 132.42 46.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.402 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 158' ' ' LEU . . . . . . . . . . . . . 1.5 mt 56.89 15.29 2.21 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.615 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 159' ' ' GLY . . . . . . . . . . . . . . . 65.64 -150.03 51.7 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.874 -0.891 . . . . 0.0 110.874 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 160' ' ' ALA . . . . . . . . . . . . . . . -106.99 123.08 47.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.818 0.342 . . . . 0.0 110.469 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 161' ' ' ARG . . . . . . . . . . . . . 28.4 ttp180 -163.77 -34.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.659 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 162' ' ' HIS . . . . . 0.414 ' O ' ' C ' ' I' ' 163' ' ' LYS . 2.6 p80 -69.78 2.52 3.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.433 -179.213 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' I' I ' 163' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' I' ' 162' ' ' HIS . 20.2 pttm -36.88 116.4 0.44 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.604 -179.58 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' I' I ' 164' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -172.48 -55.5 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.49 -179.538 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 165' ' ' SER . . . . . . . . . . . . . 75.0 m -148.47 65.85 1.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.249 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 166' ' ' LEU . . . . . 0.515 HD11 ' HB2' ' I' ' 151' ' ' ASP . 38.2 tp -61.7 -41.46 97.62 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 -179.431 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' I' I ' 167' ' ' ASP . . . . . 0.428 ' OD1' ' O ' ' I' ' 167' ' ' ASP . 13.1 p30 -102.86 108.47 19.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.901 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' I' I ' 168' ' ' LEU . . . . . . . . . . . . . 59.9 tp -127.16 123.79 37.56 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.015 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 169' ' ' ARG . . . . . . . . . . . . . 11.3 tpp180 -103.84 110.64 22.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.807 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 170' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 118.057 -0.973 . . . . 0.0 110.441 179.981 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 55.81 22.96 5.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.596 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -66.9 -47.28 72.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 26.8 mm -71.48 -37.29 63.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.46 -179.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 5' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -59.14 -48.08 82.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.054 -179.323 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -61.92 -45.82 92.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.989 0.423 . . . . 0.0 110.028 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 7' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' C' ' 11' ' ' GLN . . . -61.88 -37.84 86.09 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.3 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.21 -40.53 90.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.053 0.454 . . . . 0.0 110.315 -179.275 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 54.6 t -61.42 -45.44 98.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.492 179.2 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -75.75 -31.89 59.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.678 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 11' ' ' GLN . . . . . 0.452 ' O ' ' C ' ' C' ' 12' ' ' LEU . 41.1 tp60 -63.15 -29.94 71.19 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.723 -178.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 12' ' ' LEU . . . . . 0.452 ' C ' ' O ' ' C' ' 11' ' ' GLN . 0.9 OUTLIER -31.84 133.77 0.09 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.966 0.413 . . . . 0.0 111.204 -179.275 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 71.6 p -77.93 165.51 24.01 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.621 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.61 -38.49 84.87 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.435 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -63.97 -44.03 93.97 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.787 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -63.29 -40.7 98.1 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.265 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 46.9 mttp -64.15 -39.4 93.93 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.408 179.515 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -62.6 -48.13 80.77 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 119.942 -0.703 . . . . 0.0 110.945 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.17 -38.63 91.76 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.632 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 20' ' ' PHE . . . . . 0.507 ' CD2' ' SD ' ' C' ' 81' ' ' MET . 3.7 m-30 -63.61 -43.04 98.06 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.995 -178.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 23.4 mtpp -64.15 -38.22 90.26 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.657 178.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.67 -44.59 93.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.902 0.382 . . . . 0.0 110.284 -179.232 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.6 -38.45 91.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.334 178.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 24' ' ' PHE . . . . . 0.488 ' CE2' ' CZ ' ' C' ' 74' ' ' PHE . 83.8 t80 -57.76 -46.19 84.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.062 -179.599 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -60.65 -39.9 90.01 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.971 0.415 . . . . 0.0 110.253 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 95.2 mt -68.51 -40.0 81.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.956 0.408 . . . . 0.0 110.864 179.143 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -58.14 -39.27 78.33 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.099 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 28' ' ' VAL . . . . . 0.45 ' C ' ' H ' ' C' ' 30' ' ' GLY . 28.9 m -79.89 19.38 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 120.912 -0.315 . . . . 0.0 111.09 -179.52 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 29' ' ' LEU . . . . . 0.666 HD12 ' N ' ' C' ' 30' ' ' GLY . 3.1 pp -55.51 -7.94 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.655 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 30' ' ' GLY . . . . . 0.666 ' N ' HD12 ' C' ' 29' ' ' LEU . . . -119.78 6.52 12.37 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -179.545 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -130.71 126.96 37.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.886 0.374 . . . . 0.0 110.535 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 32' ' ' GLU . . . . . 0.4 ' OE1' ' N ' ' C' ' 32' ' ' GLU . 47.2 mp0 -85.32 -21.43 28.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.607 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -75.31 -18.67 59.98 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.502 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.16 6.0 63.44 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 35' ' ' CYS . . . . . . . . . . . . . 84.9 m -104.99 149.89 25.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.603 0.239 . . . . 0.0 110.491 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 67.7 mt -101.67 121.11 52.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 50.0 m -116.22 -167.24 1.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.152 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 40.3 p -62.08 -30.92 71.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.593 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -61.58 -47.7 84.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.014 0.435 . . . . 0.0 110.817 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 36.0 mp0 -64.01 -40.75 97.04 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.537 0.684 . . . . 0.0 110.296 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 41' ' ' LEU . . . . . 0.459 ' O ' ' SD ' ' C' ' 45' ' ' MET . 2.2 mm? -66.45 -33.41 75.63 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.983 179.296 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.73 -39.11 96.22 Favored Glycine 0 CA--C 1.52 0.374 0 N-CA-C 110.684 -0.966 . . . . 0.0 110.684 179.297 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -66.05 -40.25 90.79 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.192 0.52 . . . . 0.0 110.016 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 56.9 t -61.15 -44.75 98.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.374 179.304 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 45' ' ' MET . . . . . 0.607 ' N ' ' SD ' ' C' ' 45' ' ' MET . 0.0 OUTLIER -61.43 -39.94 92.65 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.734 -179.363 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 46.5 mtt-85 -60.5 -40.94 93.17 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.35 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 97.9 mtp -64.69 -37.0 86.11 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.58 179.236 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 48' ' ' LEU . . . . . 0.458 HD21 ' HG3' ' I' ' 153' ' ' MET . 96.0 mt -74.83 -5.77 45.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.457 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 82.94 20.51 61.01 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 -116.94 141.79 47.77 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.829 0.347 . . . . 0.0 110.357 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -133.69 74.54 70.04 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.374 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -78.3 -170.2 0.93 Allowed 'Trans proline' 0 C--N 1.306 -1.689 0 C-N-CA 122.966 2.444 . . . . 0.0 112.09 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 53' ' ' THR . . . . . 0.409 ' O ' ' HG3' ' C' ' 56' ' ' GLU . 0.8 OUTLIER -99.23 154.05 37.49 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.434 -179.627 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -64.07 -26.54 65.66 Favored 'Trans proline' 0 C--N 1.303 -1.846 0 C-N-CA 121.764 1.643 . . . . 0.0 112.609 179.42 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -64.35 -50.51 67.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.129 0.49 . . . . 0.0 111.173 -178.552 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 56' ' ' GLU . . . . . 0.409 ' HG3' ' O ' ' C' ' 53' ' ' THR . 0.0 OUTLIER -69.29 -32.09 71.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.089 -179.291 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 81.0 mt -64.03 -39.49 94.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.331 178.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 12.4 tp-100 -65.68 -40.22 92.12 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.218 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -61.82 -39.09 90.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.447 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 97.0 mtp -61.85 -41.45 97.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.43 179.636 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 61' ' ' ILE . . . . . 0.559 HG21 ' C ' ' C' ' 70' ' ' GLY . 88.5 mt -62.09 -43.05 97.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.092 179.547 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -61.35 -40.12 93.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.995 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.04 -45.58 92.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.864 -179.094 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 10.7 p -82.88 -30.53 8.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.789 0.328 . . . . 0.0 110.839 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 65' ' ' ASP . . . . . 0.501 ' OD2' ' N ' ' C' ' 69' ' ' SER . 64.3 t0 -80.93 109.22 15.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.069 0.462 . . . . 0.0 110.734 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -64.85 -40.42 95.12 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.556 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 67' ' ' ASP . . . . . 0.453 ' OD1' ' OD1' ' C' ' 65' ' ' ASP . 1.4 p30 -80.35 -14.39 58.39 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.984 -179.67 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 64.96 24.09 69.89 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 178.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 69' ' ' SER . . . . . 0.501 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 86.4 p -59.24 -20.39 53.73 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.732 -179.159 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 70' ' ' GLY . . . . . 0.559 ' C ' HG21 ' C' ' 61' ' ' ILE . . . 98.22 -6.59 61.69 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 66.2 p -136.17 161.92 34.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.629 0.252 . . . . 0.0 110.488 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 47.8 t -102.69 128.35 55.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -105.06 -169.85 1.67 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.13 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 74' ' ' PHE . . . . . 0.488 ' CZ ' ' CE2' ' C' ' 24' ' ' PHE . 47.2 m-85 -60.71 -45.75 93.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.43 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.69 -53.8 52.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.141 0.495 . . . . 0.0 111.341 -179.369 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 76' ' ' GLU . . . . . 0.451 ' OE2' ' OD1' ' C' ' 65' ' ' ASP . 94.2 mt-10 -64.83 -38.24 90.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.092 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -57.94 -46.37 85.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.803 179.11 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 76.5 mt -59.65 -41.84 91.45 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.331 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 66.1 t -66.23 -38.48 82.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.108 179.225 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 59.1 ttp -60.59 -41.66 95.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.107 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 81' ' ' MET . . . . . 0.507 ' SD ' ' CD2' ' C' ' 20' ' ' PHE . 1.0 OUTLIER -66.98 -47.45 71.52 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.82 -179.138 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 73.1 t -64.63 -43.65 96.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.577 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 59.2 ttt85 -61.27 -43.63 98.56 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 120.808 0.337 . . . . 0.0 110.833 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 84' ' ' CYS . . . . . . . . . . . . . 90.2 m -61.61 -41.57 97.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.159 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 47.3 tpp -63.03 -45.68 91.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.367 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -63.46 -40.52 97.35 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.446 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 87' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -48.33 174.19 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.515 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -73.27 70.94 1.19 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.26 0.552 . . . . 0.0 110.062 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 89' ' ' SER . . . . . 0.545 ' OG ' ' HB3' ' I' ' 150' ' ' ALA . 26.4 t . . . . . 0 C--N 1.32 -0.685 0 CA-C-O 118.043 -0.979 . . . . 0.0 110.859 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 144' ' ' ARG . . . . . 0.435 ' O ' HG23 ' I' ' 146' ' ' VAL . 10.0 tpp180 . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 145' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -67.89 -27.42 66.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.397 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 146' ' ' VAL . . . . . 0.435 HG23 ' O ' ' I' ' 144' ' ' ARG . 8.4 t 61.95 104.27 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.302 -179.638 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 147' ' ' ARG . . . . . 0.446 ' O ' ' O ' ' I' ' 148' ' ' ILE . 36.0 mmt180 -97.48 15.22 23.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.488 -179.49 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 148' ' ' ILE . . . . . 0.446 ' O ' ' O ' ' I' ' 147' ' ' ARG . 28.5 mt 56.46 117.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.68 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 149' ' ' SER . . . . . 0.446 ' OG ' ' OD1' ' I' ' 151' ' ' ASP . 17.7 t -82.4 119.43 24.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.809 -179.746 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 150' ' ' ALA . . . . . 0.545 ' HB3' ' OG ' ' C' ' 89' ' ' SER . . . -62.88 -40.15 96.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.443 179.527 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 151' ' ' ASP . . . . . 0.446 ' OD1' ' OG ' ' I' ' 149' ' ' SER . 3.8 p-10 -63.38 -39.01 93.35 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.621 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . -60.76 -44.98 96.05 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.488 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 153' ' ' MET . . . . . 0.458 ' HG3' HD21 ' C' ' 48' ' ' LEU . 40.7 ttp -70.34 -43.16 70.8 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.616 179.762 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 154' ' ' MET . . . . . 0.454 ' O ' ' O ' ' I' ' 157' ' ' LEU . 4.5 tpp -61.83 -21.01 64.27 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.37 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -56.05 -41.25 74.75 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.628 -0.429 . . . . 0.0 109.864 -178.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . -63.45 -39.69 95.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.847 0.356 . . . . 0.0 110.455 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 157' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' I' ' 159' ' ' GLY . 1.3 tt -93.11 114.85 27.48 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.262 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 158' ' ' LEU . . . . . . . . . . . . . 17.9 mt 55.07 -87.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.456 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 159' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' I' ' 157' ' ' LEU . . . 163.37 171.93 30.23 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.874 -0.891 . . . . 0.0 110.874 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 160' ' ' ALA . . . . . 0.765 ' H ' ' CE1' ' I' ' 162' ' ' HIS . . . -145.97 -108.55 0.1 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.674 0.273 . . . . 0.0 110.635 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 161' ' ' ARG . . . . . 0.444 ' C ' ' CG ' ' I' ' 162' ' ' HIS . 79.4 ttt180 -104.88 110.97 23.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.204 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 162' ' ' HIS . . . . . 0.765 ' CE1' ' H ' ' I' ' 160' ' ' ALA . 0.3 OUTLIER 172.48 -104.65 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.203 179.607 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' I' I ' 163' ' ' LYS . . . . . . . . . . . . . 41.8 mtmt -71.26 -15.96 62.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.195 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 164' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -138.55 151.92 47.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.341 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 165' ' ' SER . . . . . . . . . . . . . 70.5 m -96.55 154.95 16.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.603 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 166' ' ' LEU . . . . . 0.673 HD21 ' HA ' ' I' ' 160' ' ' ALA . 89.1 mt -89.14 154.11 20.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.072 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 167' ' ' ASP . . . . . 0.439 ' O ' ' O ' ' I' ' 168' ' ' LEU . 61.9 t0 54.73 38.7 30.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.535 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 168' ' ' LEU . . . . . 0.439 ' O ' ' O ' ' I' ' 167' ' ' ASP . 0.9 OUTLIER 49.64 104.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.021 179.714 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' I' I ' 169' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 53.4 -90.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.449 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 170' ' ' ALA . . . . . 0.43 ' OXT' ' O ' ' I' ' 167' ' ' ASP . . . . . . . . 0 C--O 1.219 -0.529 0 CA-C-O 118.126 -0.94 . . . . 0.0 110.49 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 18.5 mmt . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -60.9 -35.67 77.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.372 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -58.6 -45.62 88.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.932 -179.137 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 96.5 mt -66.93 -42.41 88.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.991 0.425 . . . . 0.0 110.689 179.387 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 5' ' ' TYR . . . . . 0.479 ' OH ' ' CG1' ' C' ' 82' ' ' VAL . 85.4 t80 -60.59 -48.48 81.59 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.474 -179.379 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 11.1 tptp -63.21 -41.91 99.22 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.55 -36.59 83.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.487 179.173 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.97 -42.9 99.64 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.123 -0.631 . . . . 0.0 109.897 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 54.1 t -61.91 -46.82 95.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.533 179.399 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -68.97 -29.5 67.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.189 179.415 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 11' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' C' ' 12' ' ' LEU . 50.5 tt0 -61.8 -37.84 85.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.679 -179.65 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 12' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' C' ' 11' ' ' GLN . 88.0 mt -38.34 142.01 0.21 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.915 0.388 . . . . 0.0 110.692 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 74.9 p -72.73 163.2 28.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.897 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 14' ' ' GLU . . . . . 0.407 ' O ' ' OD1' ' C' ' 18' ' ' ASN . 24.9 pt-20 -64.49 -34.17 77.59 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.75 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -66.32 -43.43 86.24 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.016 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -63.92 -41.4 97.66 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.039 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -63.98 -39.98 95.37 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.636 179.098 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 18' ' ' ASN . . . . . 0.407 ' OD1' ' O ' ' C' ' 14' ' ' GLU . 27.9 m120 -63.75 -39.18 93.65 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 119.781 -0.768 . . . . 0.0 111.158 -179.635 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -62.39 -41.06 98.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.882 0.372 . . . . 0.0 111.522 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -70.27 -37.21 74.83 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.405 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -58.83 -45.17 90.64 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.91 -42.99 99.73 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.404 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.01 -41.12 95.94 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.118 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 24' ' ' PHE . . . . . 0.48 ' CD1' ' CZ ' ' C' ' 74' ' ' PHE . 42.3 t80 -59.11 -44.71 92.0 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.385 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -58.94 -41.89 88.49 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.109 -178.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 26' ' ' ILE . . . . . 0.411 ' H ' HG12 ' C' ' 26' ' ' ILE . 17.1 pt -83.78 -20.98 8.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.972 179.508 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 27' ' ' PHE . . . . . 0.458 ' O ' ' OE2' ' C' ' 40' ' ' GLU . 0.5 OUTLIER -62.97 -41.65 99.6 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.195 -0.602 . . . . 0.0 109.69 179.246 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 14.1 m -73.2 18.86 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.67 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 29' ' ' LEU . . . . . 0.498 HD12 ' N ' ' C' ' 30' ' ' GLY . 2.3 pp -42.91 -44.53 4.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.781 0.324 . . . . 0.0 111.225 179.603 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 30' ' ' GLY . . . . . 0.498 ' N ' HD12 ' C' ' 29' ' ' LEU . . . -103.78 14.72 53.0 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.54 -0.624 . . . . 0.0 111.54 -179.378 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -120.99 97.71 5.66 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.153 0.501 . . . . 0.0 110.278 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -74.26 -12.42 60.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.994 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -79.84 -17.8 52.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.621 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.37 5.74 84.75 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 35' ' ' CYS . . . . . . . . . . . . . 80.3 m -126.94 151.65 48.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.683 0.277 . . . . 0.0 110.358 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 5.8 mm -86.09 120.35 35.81 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.189 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 40.2 m -129.36 -178.71 4.78 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.017 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 68.6 p -60.8 -29.56 69.53 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.877 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -62.57 -48.49 79.25 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.65 -0.42 . . . . 0.0 111.137 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 40' ' ' GLU . . . . . 0.458 ' OE2' ' O ' ' C' ' 27' ' ' PHE . 2.3 tt0 -70.69 -39.97 73.18 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-O 121.155 0.502 . . . . 0.0 111.159 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.33 -31.89 67.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.902 -179.221 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 42' ' ' GLY . . . . . 0.494 ' O ' ' NH1' ' C' ' 46' ' ' ARG . . . -61.71 -38.13 95.4 Favored Glycine 0 CA--C 1.527 0.838 0 N-CA-C 111.368 -0.693 . . . . 0.0 111.368 179.6 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.97 -41.49 74.38 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.343 0.592 . . . . 0.0 110.262 -179.142 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 69.2 t -62.71 -43.04 98.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.333 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 22.2 mmt -61.46 -40.02 92.98 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.154 -179.043 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 46' ' ' ARG . . . . . 0.494 ' NH1' ' O ' ' C' ' 42' ' ' GLY . 82.6 mtt85 -61.77 -39.85 93.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.792 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 21.0 ttt -64.1 -37.28 86.88 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.138 0.494 . . . . 0.0 110.086 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 96.1 mt -73.35 -9.08 58.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.618 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 88.52 16.37 58.75 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.291 -0.723 . . . . 0.0 111.291 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -104.15 150.51 24.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.831 0.348 . . . . 0.0 110.251 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 53.4 p30 -132.23 63.34 67.93 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.403 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -73.3 -170.5 0.66 Allowed 'Trans proline' 0 C--N 1.303 -1.844 0 C-N-CA 122.771 2.314 . . . . 0.0 111.796 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -119.23 154.14 53.6 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.241 -179.512 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo -63.39 -27.93 71.29 Favored 'Trans proline' 0 N--CA 1.494 1.552 0 C-N-CA 122.131 1.887 . . . . 0.0 112.66 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -63.96 -49.0 74.25 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.384 0.612 . . . . 0.0 111.068 -178.516 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -70.92 -34.63 71.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.166 -0.924 . . . . 0.0 110.422 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 77.4 mt -63.81 -39.64 94.73 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.925 179.132 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 22.0 tm0? -63.95 -42.94 97.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.625 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -62.23 -38.65 90.04 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.619 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 28.4 ttt -59.5 -46.68 88.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.327 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.76 -40.53 89.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.2 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -59.37 -32.62 70.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.003 -179.625 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -59.56 -43.52 93.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.893 -179.469 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 12.5 m -92.17 -28.71 4.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.593 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 65' ' ' ASP . . . . . 0.453 ' OD2' ' N ' ' C' ' 69' ' ' SER . 53.4 t0 -77.63 110.69 12.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.04 0.448 . . . . 0.0 110.386 -179.435 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 58.0 mp0 -67.02 -39.68 87.08 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.767 -179.672 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 67' ' ' ASP . . . . . 0.431 ' OD1' ' OD1' ' C' ' 65' ' ' ASP . 1.6 p30 -76.71 -13.47 60.04 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.923 -179.521 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 66.54 18.08 67.44 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.51 -1.036 . . . . 0.0 110.51 178.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 69' ' ' SER . . . . . 0.453 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 95.7 p -61.08 -21.5 63.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.686 0.279 . . . . 0.0 110.639 -179.214 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.01 11.24 79.27 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 73.0 p -133.9 157.16 46.68 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 30.6 t -121.93 123.64 69.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 57.2 p30 -97.44 -169.77 1.9 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.407 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 74' ' ' PHE . . . . . 0.48 ' CZ ' ' CD1' ' C' ' 24' ' ' PHE . 25.1 m-85 -60.11 -48.89 79.84 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.59 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -63.25 -45.14 92.93 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.301 -179.185 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.59 -36.36 80.75 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -57.6 -47.67 81.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.211 179.022 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -61.85 -39.29 91.33 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.14 -0.624 . . . . 0.0 110.368 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 53.8 t -62.83 -41.93 94.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.193 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 17.0 tmm? -70.14 -37.47 75.28 Favored 'General case' 0 C--N 1.313 -0.987 0 C-N-CA 120.332 -0.547 . . . . 0.0 109.952 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 10.6 tpt -64.71 -49.03 72.48 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.191 -178.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 82' ' ' VAL . . . . . 0.479 ' CG1' ' OH ' ' C' ' 5' ' ' TYR . 5.3 p -67.59 -39.6 82.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.925 0.393 . . . . 0.0 110.295 -179.519 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 83' ' ' ARG . . . . . 0.429 ' N ' HG13 ' C' ' 82' ' ' VAL . 40.1 ttt180 -61.35 -41.01 96.36 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.494 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 84' ' ' CYS . . . . . . . . . . . . . 98.5 m -61.78 -41.5 97.79 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.56 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 88.7 mmm -62.98 -41.21 99.5 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.476 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 50.6 mtpt -70.49 -28.87 65.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.188 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 87' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -60.75 151.31 29.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.405 -179.424 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -113.95 74.2 0.86 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.514 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.323 -0.555 0 CA-C-O 117.959 -1.02 . . . . 0.0 110.608 179.553 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' I' I ' 144' ' ' ARG . . . . . . . . . . . . . 44.3 ttm180 . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' I' I ' 145' ' ' ARG . . . . . . . . . . . . . 28.9 ttp180 -96.09 -32.46 12.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.982 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 146' ' ' VAL . . . . . 0.613 HG23 ' O ' ' I' ' 146' ' ' VAL . 21.3 m -73.63 119.6 21.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.082 -179.478 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' I' I ' 147' ' ' ARG . . . . . . . . . . . . . 5.4 mtm-85 -67.34 -40.53 85.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.036 179.207 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 148' ' ' ILE . . . . . . . . . . . . . 96.3 mt -119.68 131.45 72.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.618 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 149' ' ' SER . . . . . . . . . . . . . 87.8 p -123.24 161.45 24.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.405 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 150' ' ' ALA . . . . . 0.498 ' CB ' HD11 ' I' ' 166' ' ' LEU . . . -60.75 -39.54 89.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.463 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' I' I ' 151' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -60.1 -45.63 92.29 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.189 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . -61.63 -43.39 98.95 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.726 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 3.8 mmt -62.88 -45.01 94.55 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.978 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 154' ' ' MET . . . . . . . . . . . . . 91.3 mmm -70.88 -34.04 71.2 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.375 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -58.8 -46.64 87.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.28 -179.406 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . -69.91 -32.47 70.8 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.036 0.446 . . . . 0.0 109.975 178.557 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 157' ' ' LEU . . . . . 0.468 ' O ' ' CB ' ' I' ' 158' ' ' LEU . 2.3 tp -64.92 -7.83 13.1 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.74 -179.632 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' I' I ' 158' ' ' LEU . . . . . 0.468 ' CB ' ' O ' ' I' ' 157' ' ' LEU . 1.4 tp 80.32 37.3 0.11 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.857 0.361 . . . . 0.0 110.298 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' I' I ' 159' ' ' GLY . . . . . . . . . . . . . . . -61.16 -41.29 99.43 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.839 -0.905 . . . . 0.0 110.839 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 160' ' ' ALA . . . . . . . . . . . . . . . 52.73 90.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 121.071 -0.252 . . . . 0.0 111.044 179.55 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 161' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 57.65 44.24 21.05 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.314 179.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 162' ' ' HIS . . . . . 0.539 ' O ' ' ND1' ' I' ' 162' ' ' HIS . 22.1 p80 -68.23 97.19 0.7 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.511 -179.709 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' I' I ' 163' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt 47.43 -173.54 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.646 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 164' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -103.96 -18.2 14.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.555 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 165' ' ' SER . . . . . . . . . . . . . 31.2 t -166.85 170.9 11.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.768 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 166' ' ' LEU . . . . . 0.498 HD11 ' CB ' ' I' ' 150' ' ' ALA . 88.0 mt -87.54 -5.55 58.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.481 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' I' I ' 167' ' ' ASP . . . . . . . . . . . . . 49.1 t0 60.29 -126.71 1.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.376 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 168' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -153.97 -66.02 0.14 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.571 179.736 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' I' I ' 169' ' ' ARG . . . . . . . . . . . . . 36.3 ptt-85 -95.05 145.33 25.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.626 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 170' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.978 -1.01 . . . . 0.0 110.512 -179.995 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 66.8 mtt . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -149.33 -37.72 0.16 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.6 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.29 -37.95 87.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.187 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 36.9 mm -63.03 -42.39 96.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.264 -178.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 5' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -64.0 -41.38 97.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.486 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 68.8 tttt -61.9 -47.44 84.94 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.44 -37.87 88.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.382 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.31 -42.6 99.5 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.172 -0.611 . . . . 0.0 110.373 -179.575 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 53.1 t -61.84 -47.89 91.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.156 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -70.12 -33.74 72.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.018 0.437 . . . . 0.0 110.603 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 20.1 tm0? -62.48 -39.26 92.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.181 -179.57 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 43.7 mt -58.73 145.91 38.61 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.943 0.401 . . . . 0.0 110.774 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 13' ' ' THR . . . . . 0.448 ' OG1' ' OE1' ' C' ' 16' ' ' GLN . 65.0 p -70.86 167.43 18.97 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.657 -179.52 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -62.46 -38.33 89.39 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.18 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.95 -45.85 91.89 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.752 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 16' ' ' GLN . . . . . 0.45 ' O ' ' CD2' ' C' ' 20' ' ' PHE . 4.2 mp0 -60.88 -43.45 98.44 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.534 -0.466 . . . . 0.0 110.156 179.417 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 14.6 mmmt -64.49 -40.21 95.24 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.544 179.294 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -63.9 -40.24 96.05 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 120.407 -0.517 . . . . 0.0 111.591 -179.663 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -61.9 -43.01 99.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.179 0.514 . . . . 0.0 111.099 -179.42 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 20' ' ' PHE . . . . . 0.45 ' CD2' ' O ' ' C' ' 16' ' ' GLN . 18.3 m-85 -70.6 -40.25 73.33 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.134 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -60.09 -40.7 90.48 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.942 179.328 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.73 -42.47 97.37 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.159 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.95 -40.04 94.19 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.314 179.416 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -59.58 -44.96 93.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.067 179.631 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -59.29 -39.74 83.94 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.908 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 95.4 mt -68.85 -40.71 81.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.909 0.385 . . . . 0.0 110.721 178.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -56.01 -39.8 72.45 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.629 -0.429 . . . . 0.0 111.262 -179.681 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 31.4 m -78.21 21.71 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.009 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 1.7 pp -45.55 -29.35 1.15 Allowed 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.824 179.435 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . -129.38 34.78 2.72 Favored Glycine 0 CA--C 1.528 0.896 0 C-N-CA 121.114 -0.565 . . . . 0.0 112.329 -179.105 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 31' ' ' ALA . . . . . 0.61 ' HB2' ' OE2' ' C' ' 40' ' ' GLU . . . -124.16 107.22 11.01 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.948 0.404 . . . . 0.0 110.984 179.636 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -71.74 -29.32 64.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.827 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 53.6 p-10 -71.93 -15.95 62.1 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.707 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 81.49 18.44 68.61 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 35' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -124.19 165.19 18.02 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.728 0.299 . . . . 0.0 110.461 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 87.8 mt -106.03 127.37 61.2 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.152 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 4.6 t -131.97 -165.47 1.59 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.045 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 77.3 p -65.97 -25.65 67.2 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.31 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -66.43 -50.68 62.57 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.189 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 40' ' ' GLU . . . . . 0.61 ' OE2' ' HB2' ' C' ' 31' ' ' ALA . 60.2 mp0 -66.24 -42.83 88.05 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 121.076 0.465 . . . . 0.0 110.95 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 18.8 mt -67.92 -36.25 79.86 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.259 179.413 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.12 -40.22 96.87 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -70.1 -40.52 74.89 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.099 0.476 . . . . 0.0 110.734 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 71.8 t -62.78 -46.53 96.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.843 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 76.2 mtp -63.85 -38.2 90.21 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 120.103 -0.639 . . . . 0.0 110.167 -179.016 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 24.7 tpt85 -59.77 -43.34 94.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.363 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 7.4 tpt -61.23 -38.14 85.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.981 0.42 . . . . 0.0 110.2 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 82.7 mt -64.92 -15.53 62.2 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.663 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 98.6 11.11 48.58 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -98.37 145.69 26.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.982 0.42 . . . . 0.0 110.579 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -129.88 68.91 81.37 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.278 179.576 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -75.68 -167.85 0.48 Allowed 'Trans proline' 0 C--N 1.307 -1.617 0 C-N-CA 122.939 2.426 . . . . 0.0 111.195 179.642 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 47.0 p -122.39 151.66 59.78 Favored Pre-proline 0 CA--C 1.535 0.377 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -49.1 -32.82 25.24 Favored 'Trans proline' 0 N--CA 1.496 1.644 0 C-N-CA 122.046 1.831 . . . . 0.0 112.606 179.299 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -62.68 -41.74 99.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.133 0.492 . . . . 0.0 110.46 -178.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -65.99 -45.2 82.47 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.629 -179.256 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 11.0 mp -65.2 -40.1 93.72 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.401 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -63.52 -43.93 95.73 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.578 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -65.77 -39.36 90.92 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.722 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 74.7 mtp -58.04 -46.63 85.03 Favored 'General case' 0 CA--C 1.516 -0.352 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.892 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 61' ' ' ILE . . . . . 0.478 HG21 ' C ' ' C' ' 70' ' ' GLY . 96.7 mt -66.73 -40.37 85.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 C-N-CA 120.135 -0.626 . . . . 0.0 110.716 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -59.51 -44.96 92.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.966 -179.218 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -63.69 -41.33 98.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.854 0.359 . . . . 0.0 110.899 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 90.9 t -78.9 -32.91 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.84 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 65' ' ' ASP . . . . . 0.532 ' OD2' ' N ' ' C' ' 69' ' ' SER . 49.2 t0 -85.5 113.83 22.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.677 -179.344 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -73.2 -35.84 66.43 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.703 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 67' ' ' ASP . . . . . 0.425 ' OD1' ' OD1' ' C' ' 65' ' ' ASP . 0.5 OUTLIER -76.74 -12.46 59.99 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.185 -179.69 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 67.71 19.33 71.14 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 110.751 -0.94 . . . . 0.0 110.751 179.309 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 69' ' ' SER . . . . . 0.532 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 90.5 p -60.51 -22.98 64.19 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.894 -179.298 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 70' ' ' GLY . . . . . 0.478 ' C ' HG21 ' C' ' 61' ' ' ILE . . . 86.09 2.8 85.65 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 62.8 p -133.57 164.26 27.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.722 0.296 . . . . 0.0 110.578 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 91.8 t -118.41 123.07 71.02 Favored 'Isoleucine or valine' 0 C--O 1.231 0.121 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.404 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 73' ' ' ASP . . . . . 0.448 ' CG ' ' H ' ' C' ' 74' ' ' PHE . 35.2 t0 -100.21 -173.69 2.49 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.249 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 74' ' ' PHE . . . . . 0.463 ' CZ ' HD11 ' C' ' 78' ' ' LEU . 88.2 t80 -59.21 -48.96 79.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.187 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.32 -44.77 95.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -68.33 -36.42 79.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.953 179.159 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -57.43 -47.95 80.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.433 179.465 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 78' ' ' LEU . . . . . 0.463 HD11 ' CZ ' ' C' ' 74' ' ' PHE . 25.1 mt -62.07 -40.71 96.73 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 119.979 -0.689 . . . . 0.0 110.39 179.359 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 2.1 t -68.02 -32.63 57.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.125 179.273 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 3.4 ttt -63.27 -39.37 94.4 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.432 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 4.2 mtp -80.68 -42.01 22.75 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.204 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 82' ' ' VAL . . . . . 0.404 HG23 ' O ' ' C' ' 78' ' ' LEU . 53.4 t -61.43 -40.79 87.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.457 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 7.8 tpt85 -57.7 -45.95 85.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.317 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 84' ' ' CYS . . . . . . . . . . . . . 97.7 m -61.13 -46.52 90.23 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.356 -0.538 . . . . 0.0 111.033 -179.261 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 61.1 mtt -69.53 -42.54 74.51 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.656 -0.418 . . . . 0.0 111.228 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 12.6 ttmt -67.71 -41.57 83.34 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 87' ' ' ASP . . . . . 0.49 ' CG ' ' H ' ' C' ' 88' ' ' ASP . 18.1 t0 62.73 -150.45 0.35 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.212 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 88' ' ' ASP . . . . . 0.49 ' H ' ' CG ' ' C' ' 87' ' ' ASP . 57.7 p30 -123.01 72.02 1.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.398 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 117.909 -1.043 . . . . 0.0 110.622 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 144' ' ' ARG . . . . . . . . . . . . . 76.8 mtm180 . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' I' I ' 145' ' ' ARG . . . . . . . . . . . . . 4.4 ttp180 -143.69 171.44 14.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.39 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 146' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.9 -44.79 98.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.497 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 147' ' ' ARG . . . . . . . . . . . . . 40.3 ttt180 39.69 -139.43 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.491 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 148' ' ' ILE . . . . . . . . . . . . . 19.3 tt -63.01 -27.89 44.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.709 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 149' ' ' SER . . . . . . . . . . . . . 1.4 t 71.98 94.67 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.698 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 150' ' ' ALA . . . . . . . . . . . . . . . -60.73 -38.99 86.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.525 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 151' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -58.8 -50.41 74.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.099 -179.688 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . -63.34 -40.24 96.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.131 0.491 . . . . 0.0 110.808 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 54.1 ttp -61.3 -43.05 99.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.131 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 154' ' ' MET . . . . . . . . . . . . . 59.5 tpp -62.15 -40.62 96.58 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -59.2 -43.46 92.23 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.548 -179.309 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . -62.93 -52.78 61.72 Favored 'General case' 0 C--N 1.316 -0.86 0 C-N-CA 119.818 -0.753 . . . . 0.0 110.965 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 157' ' ' LEU . . . . . . . . . . . . . 93.0 mt -43.36 -72.49 0.06 Allowed 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.806 -178.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 158' ' ' LEU . . . . . 0.45 ' H ' HD12 ' I' ' 158' ' ' LEU . 0.3 OUTLIER -132.02 63.86 1.61 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.433 0.635 . . . . 0.0 110.026 -179.475 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' I' I ' 159' ' ' GLY . . . . . 0.522 ' O ' ' HB3' ' I' ' 160' ' ' ALA . . . -145.38 -81.76 0.05 OUTLIER Glycine 0 CA--C 1.523 0.545 0 C-N-CA 120.136 -1.03 . . . . 0.0 111.479 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' I' I ' 160' ' ' ALA . . . . . 0.522 ' HB3' ' O ' ' I' ' 159' ' ' GLY . . . 71.27 57.5 0.19 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.926 0.393 . . . . 0.0 110.769 -179.617 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' I' I ' 161' ' ' ARG . . . . . . . . . . . . . 85.3 mtp180 55.25 43.45 29.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.82 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 162' ' ' HIS . . . . . 0.551 ' ND1' ' O ' ' I' ' 164' ' ' GLU . 9.3 p80 -63.84 -19.97 65.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.38 179.607 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' I' I ' 163' ' ' LYS . . . . . . . . . . . . . 33.8 tttp 44.26 38.9 2.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.524 179.25 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 164' ' ' GLU . . . . . 0.551 ' O ' ' ND1' ' I' ' 162' ' ' HIS . 18.2 tp10 -150.29 132.44 15.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.459 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' I' I ' 165' ' ' SER . . . . . . . . . . . . . 1.1 t 73.2 -173.73 0.15 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.66 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 166' ' ' LEU . . . . . . . . . . . . . 1.5 tp 39.32 91.99 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.613 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 167' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -84.01 138.95 32.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.435 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 168' ' ' LEU . . . . . . . . . . . . . 1.1 tt -62.0 -42.84 99.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.136 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 169' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -96.73 103.46 15.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.271 179.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 170' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.08 -0.962 . . . . 0.0 110.534 179.804 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 39.9 mtt . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 2' ' ' ASP . . . . . 0.547 ' OD1' ' N ' ' C' ' 3' ' ' ASP . 2.5 p30 -62.85 -47.33 83.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 3' ' ' ASP . . . . . 0.547 ' N ' ' OD1' ' C' ' 2' ' ' ASP . 99.1 m-20 -61.29 -42.04 97.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.503 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 4' ' ' ILE . . . . . 0.403 ' O ' ' N ' ' C' ' 8' ' ' ALA . 4.5 mm -66.78 -38.94 82.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.542 178.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 5' ' ' TYR . . . . . . . . . . . . . 31.6 t80 -53.97 -52.65 60.02 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.969 -178.003 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -62.67 -44.12 97.08 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.005 0.431 . . . . 0.0 110.513 178.496 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.22 -36.06 80.8 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.203 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 8' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' C' ' 4' ' ' ILE . . . -59.81 -41.53 91.44 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.777 0.322 . . . . 0.0 110.472 -179.219 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 55.6 t -63.68 -46.86 93.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.959 179.206 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 -71.65 -36.36 70.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.143 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -63.01 -39.22 94.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.03 -179.137 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 8.6 mt -43.43 132.15 4.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.664 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 82.0 p -70.37 165.41 22.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.733 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -63.41 -37.68 88.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.512 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -62.1 -44.96 95.53 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.358 -179.567 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -64.06 -41.16 97.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.471 179.123 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.73 -39.76 95.07 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.718 179.181 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -62.49 -40.01 95.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.615 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -61.57 -43.99 97.84 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.716 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -66.1 -39.05 89.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.506 179.294 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 56.8 tttm -60.4 -42.04 95.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.153 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.76 -40.82 93.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.178 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.75 -38.6 88.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.418 179.196 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -58.5 -46.44 86.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.185 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -60.14 -41.4 92.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.323 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 97.9 mt -69.47 -37.65 75.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.337 0.589 . . . . 0.0 110.211 178.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.56 -40.54 75.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.577 -178.566 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 29.2 m -82.06 23.19 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.085 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 29' ' ' LEU . . . . . 0.654 HD12 ' N ' ' C' ' 30' ' ' GLY . 3.8 pp -60.21 -10.34 4.41 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.49 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 30' ' ' GLY . . . . . 0.654 ' N ' HD12 ' C' ' 29' ' ' LEU . . . -125.17 15.03 7.36 Favored Glycine 0 CA--C 1.522 0.479 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.589 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 31' ' ' ALA . . . . . 0.4 ' CB ' ' O ' ' C' ' 35' ' ' CYS . . . -125.12 124.21 41.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.794 0.33 . . . . 0.0 110.616 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -86.5 -14.04 44.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.572 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -93.25 -7.48 44.96 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.587 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 81.07 17.13 72.87 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 35' ' ' CYS . . . . . 0.4 ' O ' ' CB ' ' C' ' 31' ' ' ALA . 31.3 p -112.58 158.22 20.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.746 0.308 . . . . 0.0 110.563 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 87.5 mt -110.87 123.2 66.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.411 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 52.5 p -125.88 -165.9 1.49 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.313 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 74.4 p -64.23 -33.38 75.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.027 0.441 . . . . 0.0 110.255 -179.547 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 53.3 mttp -64.06 -41.64 97.28 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.622 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.53 -46.44 63.62 Favored 'General case' 0 C--O 1.23 0.063 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.811 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 11.2 mt -64.12 -17.66 63.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.566 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.32 -37.43 93.06 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 51.4 mmtt -64.73 -39.61 93.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.976 0.417 . . . . 0.0 110.547 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 69.8 t -61.77 -41.85 92.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.099 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 34.0 mmt -60.48 -41.29 93.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.649 -179.518 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -61.78 -41.21 97.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.435 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 4.4 mmt -61.12 -33.22 73.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.774 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 96.6 mt -78.95 -5.31 53.46 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.618 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.3 20.87 71.4 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -115.96 143.61 45.21 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.782 0.325 . . . . 0.0 110.538 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -134.43 68.65 73.0 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.448 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -77.41 -168.15 0.56 Allowed 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 123.05 2.5 . . . . 0.0 112.268 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.77 155.97 41.27 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.776 -179.771 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -59.07 -29.14 89.78 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.707 2.271 . . . . 0.0 112.311 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -61.26 -37.74 84.21 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.116 0.484 . . . . 0.0 109.887 -179.334 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -64.87 -39.36 93.41 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.111 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 57' ' ' LEU . . . . . 0.502 HD22 ' N ' ' C' ' 57' ' ' LEU . 4.2 mm? -61.01 -39.99 91.85 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.792 179.472 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -63.66 -42.4 98.08 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.812 179.338 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.31 -40.99 96.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.345 -179.204 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 68.3 mtt -62.4 -42.99 99.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.559 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 61' ' ' ILE . . . . . 0.617 HG21 ' C ' ' C' ' 70' ' ' GLY . 97.1 mt -65.37 -44.72 94.56 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.258 0 CA-C-O 121.169 0.509 . . . . 0.0 110.364 179.697 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -60.97 -40.01 91.77 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.771 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -60.98 -46.02 92.44 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.113 -178.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 32.4 m -80.45 -31.06 12.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.852 -179.348 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 65' ' ' ASP . . . . . 0.482 ' OD2' HG22 ' C' ' 61' ' ' ILE . 69.6 m-20 -71.41 123.33 22.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.552 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -70.26 -39.65 74.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.443 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 58.3 p30 -89.76 -10.58 45.04 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.937 -179.548 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 66.13 25.1 72.14 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.684 -0.966 . . . . 0.0 110.684 179.586 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 83.0 p -55.77 -27.5 51.23 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.649 -179.033 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 70' ' ' GLY . . . . . 0.617 ' C ' HG21 ' C' ' 61' ' ' ILE . . . 101.06 2.4 54.79 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 179.509 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 56.9 p -137.04 162.24 33.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.62 0.248 . . . . 0.0 110.601 179.619 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 90.6 t -119.43 126.24 75.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.605 179.559 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -105.78 -169.64 1.62 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.713 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -59.79 -48.95 79.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.681 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -62.27 -51.03 69.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.926 0.393 . . . . 0.0 110.717 -179.391 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -64.45 -35.16 80.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.417 178.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -56.81 -47.66 79.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.316 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 74.0 mt -62.48 -39.08 92.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.552 178.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 72.3 t -65.27 -41.23 90.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.782 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 67.8 ttp -62.63 -40.48 97.12 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.369 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 6.8 mmt -67.06 -45.13 78.28 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.769 -179.577 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 72.7 t -68.13 -39.77 81.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.506 179.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 83' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' C' ' 87' ' ' ASP . 75.4 ttt180 -59.23 -44.88 92.31 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.472 -179.065 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 84' ' ' CYS . . . . . . . . . . . . . 97.3 m -63.13 -42.32 99.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.567 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 85.8 mtp -65.15 -42.12 94.06 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.738 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 2.8 mmtp -80.5 -20.21 44.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.001 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 87' ' ' ASP . . . . . 0.4 ' N ' ' O ' ' C' ' 83' ' ' ARG . 11.0 m-20 67.12 -126.19 0.2 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.549 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 88' ' ' ASP . . . . . 0.43 ' O ' ' OXT' ' C' ' 89' ' ' SER . 96.6 m-20 -85.97 70.98 10.67 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 121.038 0.447 . . . . 0.0 110.547 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 89' ' ' SER . . . . . 0.43 ' OXT' ' O ' ' C' ' 88' ' ' ASP . 14.3 t . . . . . 0 C--N 1.323 -0.565 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.552 179.467 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 144' ' ' ARG . . . . . . . . . . . . . 40.9 mtt-85 . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' I' I ' 145' ' ' ARG . . . . . . . . . . . . . 31.8 ptt85 -66.88 145.81 55.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.705 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 146' ' ' VAL . . . . . 0.673 HG13 ' O ' ' I' ' 146' ' ' VAL . 7.3 p -166.54 99.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.511 179.558 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' I' I ' 147' ' ' ARG . . . . . 0.432 HH11 ' HB2' ' I' ' 149' ' ' SER . 21.2 ptt85 -157.73 146.99 19.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.755 179.651 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' I' I ' 148' ' ' ILE . . . . . 0.513 ' O ' ' O ' ' I' ' 149' ' ' SER . 97.0 mt -61.63 -50.29 80.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.648 -179.45 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' I' I ' 149' ' ' SER . . . . . 0.513 ' O ' ' O ' ' I' ' 148' ' ' ILE . 13.4 t 54.04 150.92 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 121.268 0.556 . . . . 0.0 110.821 179.372 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' I' I ' 150' ' ' ALA . . . . . . . . . . . . . . . -63.69 -18.69 64.25 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.331 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 151' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -59.69 -40.79 89.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.44 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . -63.95 -41.35 97.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.565 179.333 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 66.0 mtt -65.58 -40.34 92.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.496 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 154' ' ' MET . . . . . 0.449 ' O ' ' O ' ' I' ' 157' ' ' LEU . 21.8 mmt -61.81 -42.54 99.14 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.562 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 24.4 tm0? -66.79 -41.7 87.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.839 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . -63.65 -42.46 98.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 157' ' ' LEU . . . . . 0.449 ' O ' ' O ' ' I' ' 154' ' ' MET . 5.0 mp -104.58 -177.81 3.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.756 -179.733 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' I' I ' 158' ' ' LEU . . . . . . . . . . . . . 91.9 mt 48.64 -128.01 1.96 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.517 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 159' ' ' GLY . . . . . . . . . . . . . . . -69.98 146.69 43.5 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 160' ' ' ALA . . . . . . . . . . . . . . . -87.4 -17.01 33.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.794 0.331 . . . . 0.0 110.708 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 161' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -155.65 147.63 23.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.658 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 162' ' ' HIS . . . . . . . . . . . . . 31.1 p80 -163.81 162.02 23.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.686 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 163' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -111.48 -15.02 13.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.765 179.419 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 164' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -100.01 75.72 1.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.647 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 165' ' ' SER . . . . . . . . . . . . . 45.0 t -68.92 140.87 55.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.488 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 166' ' ' LEU . . . . . 1.055 HD12 ' H ' ' I' ' 166' ' ' LEU . 0.0 OUTLIER -110.06 90.41 3.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.031 0.443 . . . . 0.0 110.428 -179.494 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' I' I ' 167' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -149.5 98.11 2.73 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.344 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 168' ' ' LEU . . . . . . . . . . . . . 59.3 mt -112.81 130.63 56.02 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.466 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 169' ' ' ARG . . . . . 0.42 ' HE ' ' HA ' ' I' ' 169' ' ' ARG . 0.1 OUTLIER -124.83 6.99 8.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.665 179.728 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' I' I ' 170' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 117.915 -1.04 . . . . 0.0 110.456 -179.967 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.458 ' O ' ' SD ' ' C' ' 1' ' ' MET . 2.2 tmt? . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -107.77 -65.73 1.09 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.749 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 3' ' ' ASP . . . . . 0.474 ' N ' ' OD1' ' C' ' 3' ' ' ASP . 20.2 p-10 -64.56 -43.67 93.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.864 -179.816 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 4' ' ' ILE . . . . . 0.462 HG23 ' N ' ' C' ' 5' ' ' TYR . 20.9 tt -63.97 -38.87 83.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.984 0.421 . . . . 0.0 110.81 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 5' ' ' TYR . . . . . 0.462 ' N ' HG23 ' C' ' 4' ' ' ILE . 86.1 t80 -63.27 -46.88 84.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.553 179.703 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 63.4 mmtt -60.99 -42.05 97.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.235 -179.441 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.27 -39.05 93.15 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.369 178.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.8 -41.13 99.14 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.328 -179.49 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 9' ' ' VAL . . . . . 0.554 HG22 HG21 ' C' ' 82' ' ' VAL . 61.9 t -66.65 -41.85 88.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.69 -0.687 . . . . 0.0 111.197 179.749 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -72.76 -32.92 66.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.909 0.385 . . . . 0.0 110.489 -179.27 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 11' ' ' GLN . . . . . 0.435 ' O ' ' C ' ' C' ' 12' ' ' LEU . 6.5 tp-100 -61.85 -24.41 66.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.888 -179.044 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 12' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' C' ' 11' ' ' GLN . 1.8 mm? -33.33 145.7 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.877 0.37 . . . . 0.0 111.326 -179.212 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 71.5 p -78.09 160.03 28.32 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -65.4 -39.71 92.52 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.567 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -62.86 -43.61 98.34 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.832 -179.427 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -65.3 -39.29 92.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.079 0.466 . . . . 0.0 110.276 179.113 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.45 -38.82 81.47 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.527 179.725 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -63.46 -49.35 74.01 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.295 -0.562 . . . . 0.0 111.535 -179.107 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -66.63 -37.5 84.98 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.991 0.424 . . . . 0.0 110.597 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 20' ' ' PHE . . . . . 0.473 ' CD1' ' C ' ' C' ' 20' ' ' PHE . 0.2 OUTLIER -59.07 -51.93 67.93 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.713 179.297 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -54.66 -42.45 71.32 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.744 -0.383 . . . . 0.0 110.274 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.66 -41.58 97.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.144 0.497 . . . . 0.0 110.65 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.23 -39.21 89.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.087 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -61.99 -39.99 94.09 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.105 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -61.06 -39.25 89.15 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.543 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 1.4 mp -77.46 -38.26 26.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.942 0.401 . . . . 0.0 110.304 179.484 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.15 -36.58 73.22 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.791 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 23.6 m -83.79 23.05 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.845 -179.448 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 29' ' ' LEU . . . . . 0.434 HD12 ' N ' ' C' ' 30' ' ' GLY . 1.8 pp -44.03 -43.16 6.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 30' ' ' GLY . . . . . 0.434 ' N ' HD12 ' C' ' 29' ' ' LEU . . . -99.88 -26.85 8.2 Favored Glycine 0 CA--C 1.526 0.744 0 C-N-CA 120.992 -0.623 . . . . 0.0 111.637 -179.246 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 31' ' ' ALA . . . . . 0.491 ' N ' ' OE2' ' C' ' 40' ' ' GLU . . . -80.6 99.71 8.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.038 0.447 . . . . 0.0 110.638 -179.58 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -65.98 -34.73 78.78 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.246 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 57.6 p-10 -72.06 -13.09 61.5 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.832 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.62 20.27 56.64 Favored Glycine 0 CA--C 1.526 0.765 0 C-N-CA 120.519 -0.848 . . . . 0.0 111.445 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 35' ' ' CYS . . . . . 0.445 ' O ' ' CB ' ' C' ' 31' ' ' ALA . 79.7 m -110.74 139.98 45.54 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.702 0.287 . . . . 0.0 110.581 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 10.3 mm -95.22 133.29 36.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.845 0.355 . . . . 0.0 110.21 -179.428 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 22.8 t -134.29 -174.13 3.47 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.424 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 75.6 p -64.88 -25.57 67.95 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.193 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.19 -50.7 72.05 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.506 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 40' ' ' GLU . . . . . 0.491 ' OE2' ' N ' ' C' ' 31' ' ' ALA . 96.1 mt-10 -71.93 -37.08 70.09 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.423 0.63 . . . . 0.0 111.05 179.14 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 9.6 tp -56.87 -27.83 60.95 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.22 -179.103 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.07 -40.88 97.69 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -68.49 -38.82 81.34 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 121.218 0.532 . . . . 0.0 109.801 179.451 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 65.7 t -59.85 -44.3 93.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.072 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 23.5 mmt -62.12 -39.09 91.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.625 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.14 -42.27 94.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.453 -179.549 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 77.5 mtm -65.25 -36.44 84.12 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.189 0.519 . . . . 0.0 110.408 179.145 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 98.1 mt -72.42 -5.97 40.29 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.544 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.72 23.91 66.07 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -121.32 140.5 52.0 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.948 0.404 . . . . 0.0 110.532 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 61.6 t-20 -135.33 69.57 68.47 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.691 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -78.1 -167.95 0.55 Allowed 'Trans proline' 0 C--N 1.304 -1.803 0 C-N-CA 123.035 2.49 . . . . 0.0 112.154 179.489 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 3.3 p -98.8 152.71 37.95 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.388 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -48.77 -36.2 32.6 Favored 'Trans proline' 0 N--CA 1.498 1.744 0 C-N-CA 122.223 1.949 . . . . 0.0 112.444 179.547 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -58.32 -35.26 71.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.191 0.52 . . . . 0.0 110.832 -179.402 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 74.1 mt-10 -70.57 -39.82 73.69 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.025 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 57' ' ' LEU . . . . . 0.454 HD12 ' N ' ' C' ' 57' ' ' LEU . 11.2 mp -59.66 -43.44 93.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.639 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -64.33 -43.62 94.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.787 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 59' ' ' GLU . . . . . 0.431 ' O ' ' OD1' ' C' ' 62' ' ' ASP . 98.3 mt-10 -64.2 -39.16 93.39 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.728 179.577 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 60' ' ' MET . . . . . 0.464 ' O ' ' SD ' ' C' ' 60' ' ' MET . 0.0 OUTLIER -57.77 -44.61 86.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.263 -179.129 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 97.0 mt -69.29 -42.21 81.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.844 179.508 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 62' ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' C' ' 59' ' ' GLU . 0.0 OUTLIER -55.17 -29.67 58.3 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.057 -178.934 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -62.45 -41.58 98.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.968 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 64' ' ' VAL . . . . . 0.468 HG23 ' NH1' ' C' ' 83' ' ' ARG . 7.3 p -95.61 -31.25 4.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.857 0.36 . . . . 0.0 111.626 -179.608 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 65' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -69.07 115.61 8.57 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.04 0.448 . . . . 0.0 110.577 -178.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -81.47 -16.76 50.96 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.795 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -95.28 -13.38 24.89 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.599 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 69.11 13.73 67.43 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 179.495 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 91.9 p -64.11 -20.38 65.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.727 0.299 . . . . 0.0 110.818 -179.544 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 82.59 6.88 88.17 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 60.3 p -129.96 160.28 34.11 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.898 0.38 . . . . 0.0 110.591 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 57.4 t -122.16 123.0 67.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.658 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 73' ' ' ASP . . . . . 0.478 ' OD1' ' N ' ' C' ' 76' ' ' GLU . 51.2 p30 -90.31 -171.21 3.02 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.691 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -59.71 -48.94 79.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.099 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 75' ' ' ASP . . . . . 0.655 ' O ' HG13 ' C' ' 79' ' ' VAL . 45.9 m-20 -65.88 -56.1 13.57 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.54 -179.565 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 76' ' ' GLU . . . . . 0.478 ' N ' ' OD1' ' C' ' 73' ' ' ASP . 59.7 mt-10 -52.13 -29.44 21.91 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.107 0.48 . . . . 0.0 109.819 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -70.03 -43.7 70.77 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 119.834 -0.746 . . . . 0.0 109.768 178.586 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 33.9 tp -64.98 -45.07 87.21 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.199 -178.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 79' ' ' VAL . . . . . 0.655 HG13 ' O ' ' C' ' 75' ' ' ASP . 1.1 m -66.76 -27.59 40.41 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.269 -178.805 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 11.5 ttp -67.42 -41.18 85.25 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 81.4 mmm -63.26 -43.84 96.85 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.961 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 82' ' ' VAL . . . . . 0.554 HG21 HG22 ' C' ' 9' ' ' VAL . 93.8 t -66.98 -41.61 87.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.405 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 83' ' ' ARG . . . . . 0.468 ' NH1' HG23 ' C' ' 64' ' ' VAL . 74.3 mtp180 -60.38 -43.14 96.89 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.519 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 84' ' ' CYS . . . . . 0.537 ' SG ' ' N ' ' C' ' 85' ' ' MET . 11.1 p -67.01 -38.8 86.61 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.512 -179.302 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 85' ' ' MET . . . . . 0.537 ' N ' ' SG ' ' C' ' 84' ' ' CYS . 97.7 mtp -65.63 -41.38 92.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.714 179.448 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -75.12 -50.29 16.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.515 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 87' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -71.94 136.46 46.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.388 -179.661 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -126.05 73.73 1.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.435 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 26.0 p . . . . . 0 C--O 1.219 -0.504 0 CA-C-O 118.005 -0.998 . . . . 0.0 110.486 179.941 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' I' I ' 144' ' ' ARG . . . . . . . . . . . . . 80.2 mtm180 . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' I' I ' 145' ' ' ARG . . . . . . . . . . . . . 51.9 ttt85 -61.28 -39.22 89.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.169 -179.534 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 146' ' ' VAL . . . . . . . . . . . . . 89.5 t -79.22 125.93 38.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.538 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 147' ' ' ARG . . . . . . . . . . . . . 83.9 mtt85 -74.86 151.59 38.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.594 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 148' ' ' ILE . . . . . 0.548 ' O ' ' HB3' ' I' ' 152' ' ' ALA . 6.1 mm -56.89 -72.75 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.671 -179.41 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' I' I ' 149' ' ' SER . . . . . 0.474 ' N ' HG22 ' I' ' 148' ' ' ILE . 2.0 p 62.81 148.39 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.27 0.557 . . . . 0.0 111.048 179.771 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' I' I ' 150' ' ' ALA . . . . . . . . . . . . . . . -62.05 -36.4 81.51 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.667 179.571 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 151' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -55.97 -46.49 78.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.908 -179.029 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 152' ' ' ALA . . . . . 0.548 ' HB3' ' O ' ' I' ' 148' ' ' ILE . . . -63.19 -39.93 96.06 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.423 179.549 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 10.8 mtm -59.97 -41.43 91.94 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.711 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 154' ' ' MET . . . . . . . . . . . . . 64.8 mtt -65.93 -37.91 87.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.596 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 155' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' I' ' 159' ' ' GLY . 82.3 mt-30 -60.69 -43.79 97.31 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.338 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . -63.47 -41.02 98.61 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.871 0.367 . . . . 0.0 110.656 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 157' ' ' LEU . . . . . . . . . . . . . 5.3 mt -63.7 -49.69 72.15 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.362 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 158' ' ' LEU . . . . . . . . . . . . . 1.4 mp -112.51 -59.28 2.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.688 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 159' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' I' ' 155' ' ' GLN . . . 80.18 -175.1 55.03 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.659 -0.976 . . . . 0.0 110.659 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' I' I ' 160' ' ' ALA . . . . . . . . . . . . . . . 60.28 -168.32 0.17 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.716 0.293 . . . . 0.0 110.625 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 161' ' ' ARG . . . . . . . . . . . . . 88.3 mtm-85 41.06 -114.85 0.23 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.441 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 162' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 44.13 78.05 0.06 Allowed 'General case' 0 C--N 1.334 -0.095 0 CA-C-O 120.754 0.311 . . . . 0.0 110.846 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 163' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -53.91 -60.82 2.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.685 -179.397 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 164' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -136.84 -66.58 0.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.721 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 165' ' ' SER . . . . . . . . . . . . . 65.6 p -165.45 102.33 0.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.613 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 166' ' ' LEU . . . . . . . . . . . . . 25.0 mt 57.07 19.22 4.55 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.54 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 167' ' ' ASP . . . . . 0.455 ' C ' ' N ' ' I' ' 169' ' ' ARG . 3.3 m-20 52.73 29.55 7.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.453 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' I' I ' 168' ' ' LEU . . . . . . . . . . . . . 1.4 mm? 45.98 17.79 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.66 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 169' ' ' ARG . . . . . 0.455 ' N ' ' C ' ' I' ' 167' ' ' ASP . 53.9 ttp180 -157.26 -51.3 0.07 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.571 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' I' I ' 170' ' ' ALA . . . . . 0.419 ' O ' ' O ' ' I' ' 169' ' ' ARG . . . . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.428 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 5.8 mmt . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -81.14 72.97 8.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.109 0.481 . . . . 0.0 110.489 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -63.03 -36.48 83.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.729 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.48 -46.53 92.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.904 -178.674 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 5' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -63.99 -40.63 96.81 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.921 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 4.7 mmtp -58.75 -48.43 81.21 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.382 -0.527 . . . . 0.0 109.999 179.359 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.93 -38.47 88.74 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.975 179.173 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.06 -43.89 98.2 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.292 -0.563 . . . . 0.0 110.201 -179.433 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 53.6 t -64.12 -48.49 85.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.308 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -65.65 -33.11 75.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.709 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -61.34 -27.01 68.19 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.646 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 91.2 mt -53.59 135.64 40.08 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.24 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 13' ' ' THR . . . . . 0.457 ' OG1' ' OE1' ' C' ' 16' ' ' GLN . 70.6 p -78.34 170.9 15.88 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.541 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 58.5 mp0 -60.35 -38.99 85.56 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.681 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -65.11 -43.92 90.43 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.628 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 16' ' ' GLN . . . . . 0.463 ' N ' ' OE1' ' C' ' 16' ' ' GLN . 2.4 mp0 -61.31 -42.93 99.49 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.177 179.47 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 24.1 mmtt -61.81 -41.07 97.29 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.418 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -64.93 -39.46 93.55 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 120.09 -0.644 . . . . 0.0 110.626 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -63.63 -43.88 95.55 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.318 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -67.72 -41.02 84.15 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.172 0.51 . . . . 0.0 110.318 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 56.3 tttp -60.52 -41.56 94.67 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.606 179.414 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 22' ' ' ALA . . . . . 0.575 ' O ' HD12 ' C' ' 26' ' ' ILE . . . -60.43 -44.3 95.92 Favored 'General case' 0 C--O 1.221 -0.402 0 C-N-CA 120.131 -0.628 . . . . 0.0 109.982 179.448 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 23' ' ' ALA . . . . . 0.461 ' HB1' ' HG ' ' I' ' 157' ' ' LEU . . . -63.42 -38.3 90.62 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.047 0.451 . . . . 0.0 110.433 179.186 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -60.63 -35.17 75.51 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.401 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -59.64 -37.88 79.87 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.146 -179.075 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 26' ' ' ILE . . . . . 0.575 HD12 ' O ' ' C' ' 22' ' ' ALA . 4.1 mp -82.09 -40.46 17.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.546 179.803 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 27' ' ' PHE . . . . . 0.565 ' HB3' HD11 ' C' ' 36' ' ' ILE . 1.4 m-85 -54.8 -38.0 66.77 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.318 -0.553 . . . . 0.0 111.391 -179.542 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 28' ' ' VAL . . . . . 0.502 ' HB ' ' HB3' ' C' ' 31' ' ' ALA . 31.6 m -75.11 21.07 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.351 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 29' ' ' LEU . . . . . 0.487 ' H ' ' C ' ' C' ' 27' ' ' PHE . 1.0 OUTLIER -46.55 107.56 0.11 Allowed 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 121.409 0.623 . . . . 0.0 109.746 179.309 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 99.01 -20.98 48.1 Favored Glycine 0 CA--C 1.524 0.62 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.914 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 31' ' ' ALA . . . . . 0.502 ' HB3' ' HB ' ' C' ' 28' ' ' VAL . . . -87.34 91.92 8.89 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 120.224 -0.591 . . . . 0.0 109.851 179.22 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 58.6 mp0 -61.96 -34.55 76.34 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.19 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -67.3 -17.73 64.89 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.425 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.02 13.92 70.65 Favored Glycine 0 CA--C 1.52 0.397 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 35' ' ' CYS . . . . . . . . . . . . . 73.8 m -117.62 143.28 46.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.862 0.363 . . . . 0.0 110.685 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 36' ' ' ILE . . . . . 0.565 HD11 ' HB3' ' C' ' 27' ' ' PHE . 90.4 mt -101.37 130.11 51.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.222 0.534 . . . . 0.0 110.897 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 80.1 p -125.81 -169.73 2.06 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.166 -0.924 . . . . 0.0 109.605 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 71.5 p -63.49 -22.91 67.16 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.341 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 8.8 tptm -69.39 -61.25 1.86 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.027 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -63.64 -42.24 98.16 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.175 0.512 . . . . 0.0 110.639 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 25.4 tp -63.9 -38.27 90.47 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.051 -179.024 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.57 -38.65 96.18 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.47 -1.052 . . . . 0.0 110.47 179.696 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.08 -40.11 96.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.331 0.586 . . . . 0.0 109.899 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 64.6 t -62.59 -44.94 99.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.265 179.225 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 9.5 mmt -60.95 -39.1 88.21 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.361 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 -58.85 -43.32 90.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.296 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 59.5 ttp -60.7 -38.84 86.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.124 0.488 . . . . 0.0 110.156 179.557 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 96.6 mt -71.01 -9.83 58.7 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.979 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 93.86 9.21 59.95 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.211 -0.755 . . . . 0.0 111.211 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -111.36 134.26 53.08 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.835 0.35 . . . . 0.0 110.318 179.671 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -133.33 75.64 69.9 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.871 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -64.82 -153.63 0.02 OUTLIER 'Trans proline' 0 C--N 1.296 -2.193 0 C-N-CA 122.484 2.123 . . . . 0.0 111.865 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 37.1 p -126.52 155.8 74.01 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.424 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -51.05 -39.83 59.9 Favored 'Trans proline' 0 N--CA 1.497 1.679 0 C-N-CA 121.78 1.653 . . . . 0.0 113.03 179.303 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -62.5 -44.66 95.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.486 0.66 . . . . 0.0 110.704 -178.427 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -66.99 -42.69 84.62 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.891 -1.05 . . . . 0.0 110.557 -179.622 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 95.2 mt -64.04 -39.09 93.32 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.371 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 12.3 tp-100 -63.32 -41.31 98.9 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.711 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -64.01 -39.62 94.53 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.68 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 28.3 ttt -59.37 -46.07 89.67 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 120.848 0.356 . . . . 0.0 110.399 -179.49 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 61' ' ' ILE . . . . . 0.44 HG21 ' C ' ' C' ' 70' ' ' GLY . 95.7 mt -64.83 -39.56 86.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.163 0.506 . . . . 0.0 110.645 179.52 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -59.04 -37.65 77.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.925 -179.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -59.89 -28.97 68.02 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.306 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 30.3 m -112.95 1.64 8.64 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 N-CA-C 112.181 0.438 . . . . 0.0 112.181 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 65' ' ' ASP . . . . . 0.51 ' OD1' ' N ' ' C' ' 68' ' ' GLY . 40.4 t0 -95.27 104.05 15.93 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 119.975 -0.69 . . . . 0.0 111.036 -179.234 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -65.09 -41.54 94.92 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.054 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 67' ' ' ASP . . . . . 0.437 ' OD1' ' OD1' ' C' ' 65' ' ' ASP . 2.5 p30 -84.49 -10.51 57.4 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.832 -179.308 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 68' ' ' GLY . . . . . 0.51 ' N ' ' OD1' ' C' ' 65' ' ' ASP . . . 71.71 13.82 75.1 Favored Glycine 0 CA--C 1.526 0.719 0 C-N-CA 120.589 -0.815 . . . . 0.0 111.085 179.173 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 93.8 p -62.29 -21.01 64.9 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.58 0.215 . . . . 0.0 111.58 -179.307 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 70' ' ' GLY . . . . . 0.44 ' N ' ' OD2' ' C' ' 65' ' ' ASP . . . 84.96 11.56 76.3 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 110.6 -1.0 . . . . 0.0 110.6 -179.614 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 59.5 p -133.29 161.17 35.2 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.686 0.279 . . . . 0.0 110.67 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 72.9 t -110.53 125.86 67.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.618 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -102.81 -179.22 3.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.64 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 74' ' ' PHE . . . . . 0.497 ' CE2' HD11 ' C' ' 78' ' ' LEU . 88.3 t80 -58.48 -47.46 83.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.624 -179.62 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -61.6 -47.67 84.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.533 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -64.74 -37.28 87.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.126 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -57.45 -47.46 81.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.503 179.184 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 78' ' ' LEU . . . . . 0.546 ' O ' HG23 ' C' ' 82' ' ' VAL . 96.8 mt -61.89 -40.67 96.22 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.587 -179.704 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 72.5 t -65.18 -42.44 94.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.523 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 65.4 ttp -63.07 -37.85 88.85 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-O 121.543 0.687 . . . . 0.0 109.813 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 81' ' ' MET . . . . . 0.456 ' O ' ' SD ' ' C' ' 81' ' ' MET . 0.0 OUTLIER -72.02 -41.88 67.02 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.92 -179.098 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 82' ' ' VAL . . . . . 0.546 HG23 ' O ' ' C' ' 78' ' ' LEU . 64.8 t -62.36 -48.02 90.28 Favored 'Isoleucine or valine' 0 C--O 1.238 0.447 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.419 -179.217 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 42.8 ptt85 -67.7 -32.93 73.91 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.401 -0.519 . . . . 0.0 110.055 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 84' ' ' CYS . . . . . . . . . . . . . 52.8 t -60.93 -46.32 91.14 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.347 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 16.6 tpt -60.93 -43.99 97.83 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.093 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -64.09 -40.65 96.69 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.191 179.139 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 87' ' ' ASP . . . . . . . . . . . . . 54.8 t0 52.5 62.68 2.57 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.222 179.31 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 88' ' ' ASP . . . . . 0.43 ' O ' ' O ' ' C' ' 89' ' ' SER . 86.4 m-20 -101.46 72.23 1.4 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.106 0.479 . . . . 0.0 110.623 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 89' ' ' SER . . . . . 0.43 ' O ' ' O ' ' C' ' 88' ' ' ASP . 0.8 OUTLIER . . . . . 0 C--N 1.322 -0.613 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.82 179.548 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' I' I ' 144' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' I' I ' 145' ' ' ARG . . . . . 0.422 ' O ' ' O ' ' I' ' 146' ' ' VAL . 1.8 ptp85 -78.64 105.59 10.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.556 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' I' I ' 146' ' ' VAL . . . . . 0.422 ' O ' ' O ' ' I' ' 145' ' ' ARG . 2.7 t 58.98 135.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.525 179.551 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' I' I ' 147' ' ' ARG . . . . . . . . . . . . . 30.7 mmt180 -103.22 -163.99 1.04 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.425 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 148' ' ' ILE . . . . . . . . . . . . . 97.5 mt -59.18 -45.93 92.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.469 -179.047 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 149' ' ' SER . . . . . 0.459 ' OG ' ' N ' ' I' ' 150' ' ' ALA . 42.1 t 43.11 -141.26 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.394 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' I' I ' 150' ' ' ALA . . . . . 0.459 ' N ' ' OG ' ' I' ' 149' ' ' SER . . . -119.45 -22.32 7.06 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.846 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' I' I ' 151' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -66.53 -36.18 82.05 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.7 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . -60.92 -42.79 98.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.364 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 22.5 mmt -63.58 -42.06 98.32 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.691 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 154' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.41 -43.09 95.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.685 -179.434 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -65.4 -41.07 94.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.497 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . -62.93 -42.27 99.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 157' ' ' LEU . . . . . 0.461 ' HG ' ' HB1' ' C' ' 23' ' ' ALA . 8.0 mp -75.24 -51.83 12.35 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.1 -179.653 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' I' I ' 158' ' ' LEU . . . . . . . . . . . . . 8.0 tp -176.57 -68.89 0.01 OUTLIER 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.303 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 159' ' ' GLY . . . . . . . . . . . . . . . 91.97 157.48 33.68 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 160' ' ' ALA . . . . . . . . . . . . . . . -113.53 -52.29 2.76 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-O 120.678 0.275 . . . . 0.0 110.673 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 161' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -158.03 143.23 16.71 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.817 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 162' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -136.91 76.5 1.59 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.131 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 163' ' ' LYS . . . . . . . . . . . . . 20.2 mmtt -100.94 -12.31 19.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.653 179.55 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 164' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -169.02 -152.82 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.336 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 165' ' ' SER . . . . . 0.566 ' C ' ' H ' ' I' ' 167' ' ' ASP . 80.1 p -70.1 167.39 17.81 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.371 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' I' I ' 166' ' ' LEU . . . . . . . . . . . . . 1.6 tp -49.8 -2.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.613 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 167' ' ' ASP . . . . . 0.566 ' H ' ' C ' ' I' ' 165' ' ' SER . 12.2 t0 75.4 15.89 2.73 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.793 0.33 . . . . 0.0 110.531 179.703 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' I' I ' 168' ' ' LEU . . . . . . . . . . . . . 59.5 tp -65.44 -42.33 92.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.905 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 169' ' ' ARG . . . . . 0.434 ' HE ' ' HA ' ' I' ' 169' ' ' ARG . 1.5 tpm_? 72.59 91.17 0.09 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.872 -179.719 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' I' I ' 170' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.359 -179.729 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 3.6 ptp . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -133.42 -51.41 0.87 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.699 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.36 -40.69 95.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.613 -179.576 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 50.1 mm -62.16 -47.41 93.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.685 -179.208 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 5' ' ' TYR . . . . . 0.493 ' OH ' HG13 ' C' ' 79' ' ' VAL . 87.9 t80 -61.44 -45.77 92.91 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.364 179.175 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 12.7 mmmt -59.17 -41.77 89.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.335 -179.385 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.35 -34.79 73.05 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.567 178.655 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.35 -40.63 94.99 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.308 -179.577 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 9' ' ' VAL . . . . . 0.419 HG22 HG21 ' C' ' 82' ' ' VAL . 54.3 t -68.16 -46.26 81.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.825 179.255 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -66.09 -25.48 67.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.427 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -61.52 -32.32 72.37 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.564 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 12' ' ' LEU . . . . . 0.453 ' N ' HD22 ' C' ' 12' ' ' LEU . 4.4 mm? -47.34 134.02 11.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.836 0.35 . . . . 0.0 110.692 -179.545 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 63.7 p -86.33 162.76 18.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.873 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 57.8 mp0 -61.76 -39.78 92.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.581 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -63.9 -44.87 91.67 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.412 179.358 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 2.9 tm0? -63.69 -42.08 98.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.029 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -64.75 -39.89 94.38 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.59 179.367 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -61.6 -40.34 94.47 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 120.571 -0.452 . . . . 0.0 111.007 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -65.18 -39.9 93.52 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.476 179.322 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 20' ' ' PHE . . . . . 0.618 ' CD2' HD21 ' C' ' 78' ' ' LEU . 0.0 OUTLIER -64.55 -44.51 90.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.886 179.287 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 19.5 mtpp -58.77 -38.51 78.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.145 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.33 -44.4 97.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.828 0.347 . . . . 0.0 110.201 179.42 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.93 -39.79 94.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.454 178.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 24' ' ' PHE . . . . . 0.642 ' CE2' ' CZ ' ' C' ' 74' ' ' PHE . 53.8 t80 -61.07 -43.58 98.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.28 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -60.04 -39.67 86.72 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.116 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 97.3 mt -70.9 -43.45 76.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.622 0.249 . . . . 0.0 110.408 178.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 27' ' ' PHE . . . . . 0.488 ' CE1' HG21 ' C' ' 44' ' ' VAL . 0.2 OUTLIER -50.45 -43.61 55.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.889 0.376 . . . . 0.0 110.861 -179.608 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 28' ' ' VAL . . . . . 0.611 ' HB ' ' HB3' ' C' ' 31' ' ' ALA . 31.0 m -76.13 26.99 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.957 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 29' ' ' LEU . . . . . 0.454 ' H ' ' C ' ' C' ' 27' ' ' PHE . 0.8 OUTLIER -49.65 101.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.222 0.534 . . . . 0.0 110.642 179.707 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 100.15 -16.92 57.76 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 31' ' ' ALA . . . . . 0.611 ' HB3' ' HB ' ' C' ' 28' ' ' VAL . . . -84.61 95.25 8.82 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 120.879 0.371 . . . . 0.0 110.286 179.618 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.63 -26.08 67.66 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.702 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -68.8 -21.0 64.35 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.488 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.81 13.45 83.11 Favored Glycine 0 CA--C 1.521 0.417 0 N-CA-C 110.675 -0.97 . . . . 0.0 110.675 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 35' ' ' CYS . . . . . . . . . . . . . 74.5 m -112.53 144.94 41.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.766 0.317 . . . . 0.0 110.538 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 78.8 mt -102.64 118.29 49.3 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.155 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.227 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 15.9 p -121.95 -169.96 1.97 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.451 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 76.8 p -62.94 -31.57 72.69 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.244 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 34.8 mtpt -65.72 -44.03 87.29 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.663 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 40' ' ' GLU . . . . . 0.443 ' OE1' ' N ' ' C' ' 40' ' ' GLU . 60.9 mp0 -72.15 -40.7 67.84 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.271 0.557 . . . . 0.0 110.668 179.375 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.18 -29.9 70.77 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.375 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.99 -42.29 98.28 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 57.2 mmtt -68.41 -40.37 81.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.88 0.371 . . . . 0.0 110.281 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 44' ' ' VAL . . . . . 0.488 HG21 ' CE1' ' C' ' 27' ' ' PHE . 79.2 t -63.85 -42.5 96.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.265 179.496 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 16.8 mmt -61.48 -39.67 91.76 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.447 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 42.5 tpt85 -59.88 -41.08 90.79 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.017 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 60.5 ttm -60.81 -39.44 89.0 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.046 0.451 . . . . 0.0 110.255 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 96.9 mt -70.98 -14.58 62.4 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.47 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 94.0 13.69 53.99 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 94.5 mm-40 -110.97 137.25 48.83 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.969 0.414 . . . . 0.0 110.529 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -129.97 74.65 80.38 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.031 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -75.71 -169.56 0.69 Allowed 'Trans proline' 0 C--N 1.308 -1.563 0 C-N-CA 122.848 2.365 . . . . 0.0 112.067 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.57 159.01 34.76 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.075 -179.577 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -49.87 -41.17 47.96 Favored 'Trans proline' 0 N--CA 1.493 1.468 0 C-N-CA 122.392 2.062 . . . . 0.0 112.211 179.234 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.89 -44.1 97.58 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-O 120.731 0.301 . . . . 0.0 110.863 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.27 -39.64 92.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.398 0.618 . . . . 0.0 109.897 -178.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 95.8 mt -68.1 -36.48 79.84 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.846 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -62.92 -44.12 96.94 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.113 -178.639 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -72.88 -27.91 62.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.017 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 33.3 mtt -63.52 -47.01 83.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.188 179.313 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 92.2 mt -68.02 -42.09 85.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.696 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 62' ' ' ASP . . . . . 0.437 ' OD1' ' O ' ' C' ' 62' ' ' ASP . 61.9 t0 -60.69 -35.63 76.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.662 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -49.47 -26.56 3.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -178.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 15.7 m -118.7 -30.3 1.81 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.259 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.187 -179.433 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 65' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -70.9 113.6 8.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.957 0.408 . . . . 0.0 110.386 -179.22 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -81.43 -29.7 33.75 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.621 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 67' ' ' ASP . . . . . 0.412 ' OD2' ' OE2' ' C' ' 76' ' ' GLU . 0.8 OUTLIER -81.28 -14.81 56.99 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.918 -179.801 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 66.4 18.75 67.93 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 179.186 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 88.8 p -62.05 -19.01 62.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.873 0.368 . . . . 0.0 110.736 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.17 5.09 87.78 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.74 -0.944 . . . . 0.0 110.74 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 70.3 p -135.53 159.95 40.01 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 121.161 -0.216 . . . . 0.0 110.482 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 27.1 t -114.73 126.99 72.43 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.017 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 73' ' ' ASP . . . . . 0.478 ' CG ' ' H ' ' C' ' 74' ' ' PHE . 23.2 t0 -99.42 -172.59 2.29 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.678 179.755 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 74' ' ' PHE . . . . . 0.642 ' CZ ' ' CE2' ' C' ' 24' ' ' PHE . 71.0 m-85 -63.86 -46.7 83.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.01 -179.752 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -68.69 -42.8 77.3 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.982 0.42 . . . . 0.0 111.005 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 76' ' ' GLU . . . . . 0.444 ' HB2' ' H ' ' C' ' 73' ' ' ASP . 89.3 mt-10 -63.43 -39.2 93.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.618 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -62.61 -43.48 98.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.225 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 78' ' ' LEU . . . . . 0.618 HD21 ' CD2' ' C' ' 20' ' ' PHE . 85.9 mt -60.71 -39.03 87.06 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.461 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 79' ' ' VAL . . . . . 0.493 HG13 ' OH ' ' C' ' 5' ' ' TYR . 78.5 t -61.7 -44.44 98.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.023 -179.484 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 80' ' ' MET . . . . . 0.439 ' C ' ' SD ' ' C' ' 80' ' ' MET . 19.5 tmm? -65.23 -40.09 93.61 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.239 0.542 . . . . 0.0 110.454 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 35.1 ttm -64.79 -44.07 91.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.245 -179.537 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 82' ' ' VAL . . . . . 0.45 HG23 ' O ' ' C' ' 78' ' ' LEU . 52.9 t -59.61 -44.5 93.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.352 -179.526 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 83' ' ' ARG . . . . . 0.546 ' O ' ' N ' ' C' ' 87' ' ' ASP . 76.0 mtp85 -63.74 -45.81 88.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.964 0.411 . . . . 0.0 110.662 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 84' ' ' CYS . . . . . . . . . . . . . 90.7 m -65.41 -38.95 91.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.909 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 12.6 tpt -58.86 -39.66 81.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.39 -178.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -105.08 -62.43 1.34 Allowed 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.15 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 87' ' ' ASP . . . . . 0.546 ' N ' ' O ' ' C' ' 83' ' ' ARG . 61.4 m-20 -75.5 154.73 36.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.507 -179.725 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -104.66 71.06 0.96 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.29 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 67.3 m . . . . . 0 C--N 1.326 -0.428 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.695 179.569 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' I' I ' 144' ' ' ARG . . . . . . . . . . . . . 29.6 ttp-105 . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' I' I ' 145' ' ' ARG . . . . . . . . . . . . . 28.2 mtp-105 43.7 -111.36 0.2 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.523 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 146' ' ' VAL . . . . . . . . . . . . . 34.0 m -128.53 156.92 41.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.305 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 147' ' ' ARG . . . . . . . . . . . . . 8.6 tpt85 72.72 107.18 0.07 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.717 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 148' ' ' ILE . . . . . . . . . . . . . 73.9 mt -63.74 145.16 13.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.618 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 149' ' ' SER . . . . . . . . . . . . . 91.2 p -134.11 167.26 20.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.646 -179.572 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 150' ' ' ALA . . . . . . . . . . . . . . . -59.78 -39.04 83.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.199 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 151' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -63.9 -42.45 97.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.527 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . -62.26 -40.4 96.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.52 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 64.4 mtt -60.51 -45.41 93.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.661 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 154' ' ' MET . . . . . 0.546 ' O ' ' N ' ' I' ' 158' ' ' LEU . 77.7 mtm -66.07 -40.65 91.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.745 179.211 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -63.45 -43.53 97.11 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.914 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . -60.51 -43.89 96.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.608 -179.183 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 157' ' ' LEU . . . . . . . . . . . . . 2.8 mp -89.43 -61.14 1.76 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.538 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 158' ' ' LEU . . . . . 0.546 ' N ' ' O ' ' I' ' 154' ' ' MET . 81.5 mt -101.08 -153.5 0.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.289 179.748 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' I' I ' 159' ' ' GLY . . . . . . . . . . . . . . . 73.17 59.86 4.07 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.313 -0.715 . . . . 0.0 111.313 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 160' ' ' ALA . . . . . . . . . . . . . . . -59.86 -40.77 89.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.759 0.314 . . . . 0.0 110.426 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 161' ' ' ARG . . . . . . . . . . . . . 12.7 ptt85 -153.38 85.24 1.19 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.53 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 162' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -55.65 123.97 15.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.512 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 163' ' ' LYS . . . . . . . . . . . . . 7.1 ttpp -128.43 -9.41 5.18 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.631 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 164' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -121.95 150.35 42.15 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.367 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 165' ' ' SER . . . . . . . . . . . . . 77.0 p -99.2 60.56 1.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.679 -179.596 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 166' ' ' LEU . . . . . . . . . . . . . 93.8 mt 54.54 -173.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.623 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 167' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -92.46 106.94 18.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.65 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 168' ' ' LEU . . . . . . . . . . . . . 56.1 mt 53.11 18.01 1.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.452 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 169' ' ' ARG . . . . . . . . . . . . . 45.6 ttt180 63.07 29.61 16.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.545 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 170' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.427 0 CA-C-O 117.978 -1.01 . . . . 0.0 110.582 -179.955 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -123.07 -108.45 0.34 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.404 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 50.1 p-10 -65.7 -13.5 59.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.522 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.46 -36.57 75.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.374 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 5' ' ' TYR . . . . . 0.778 ' OH ' HG13 ' C' ' 79' ' ' VAL . 74.0 t80 -55.96 -49.65 72.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.308 -179.377 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 17.6 ttmt -70.7 -45.26 65.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.088 0.47 . . . . 0.0 111.025 179.026 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.98 -26.93 68.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.586 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.75 -39.26 84.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.212 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 58.2 t -65.74 -45.94 90.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.14 179.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -73.58 -33.06 64.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.952 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -61.86 -38.07 86.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.58 -179.293 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 mp -39.63 143.06 0.25 Allowed 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 120.884 0.373 . . . . 0.0 110.729 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 80.8 p -74.96 164.76 26.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.952 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -61.17 -39.17 89.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.593 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -64.46 -42.28 96.04 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.436 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -62.3 -38.32 88.94 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.281 -0.418 . . . . 0.0 109.996 -179.617 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -68.83 -36.46 78.22 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.266 179.259 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -62.02 -48.73 79.0 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 120.639 -0.424 . . . . 0.0 111.374 -179.01 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -64.76 -37.33 87.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.815 179.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 20' ' ' PHE . . . . . 0.454 ' CG ' HD21 ' C' ' 78' ' ' LEU . 0.0 OUTLIER -58.25 -49.28 77.65 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.698 179.333 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -60.17 -44.07 95.32 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.391 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.99 -40.2 94.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.508 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.56 -41.28 97.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.709 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 24' ' ' PHE . . . . . 0.639 ' CD1' ' CZ ' ' C' ' 74' ' ' PHE . 48.2 t80 -61.12 -43.78 98.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.403 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -60.06 -41.52 92.52 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.538 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 95.0 mt -66.57 -40.7 86.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 CA-C-O 120.978 0.418 . . . . 0.0 110.558 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -59.37 -40.43 86.45 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.545 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 28' ' ' VAL . . . . . 0.554 ' HB ' ' HB3' ' C' ' 31' ' ' ALA . 28.2 m -87.09 31.94 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.019 -179.765 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 2.4 pp -52.64 -38.85 61.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . -113.63 27.35 9.37 Favored Glycine 0 C--N 1.331 0.281 0 N-CA-C 111.863 -0.495 . . . . 0.0 111.863 -178.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 31' ' ' ALA . . . . . 0.554 ' HB3' ' HB ' ' C' ' 28' ' ' VAL . . . -119.92 102.79 8.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.856 0.36 . . . . 0.0 110.523 179.718 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -66.21 -37.6 85.96 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.905 179.57 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -66.97 -19.14 65.67 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.468 -179.282 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.64 10.6 81.27 Favored Glycine 0 CA--C 1.519 0.337 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.557 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 35' ' ' CYS . . . . . . . . . . . . . 77.3 m -109.14 150.56 27.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.702 0.287 . . . . 0.0 110.584 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 92.9 mt -96.9 120.14 45.86 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.343 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 77.9 p -122.91 -168.09 1.7 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.516 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 61.4 p -61.99 -39.2 91.4 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.277 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -64.37 -43.58 94.07 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.737 179.406 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 40' ' ' GLU . . . . . 0.508 ' CD ' ' HB2' ' C' ' 31' ' ' ALA . 79.7 mm-40 -66.77 -41.32 87.89 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 120.96 0.409 . . . . 0.0 110.561 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 11.9 mt -67.63 -37.5 82.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.708 179.183 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.64 -41.25 97.29 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 110.637 -0.985 . . . . 0.0 110.637 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.2 -40.15 86.42 Favored 'General case' 0 N--CA 1.44 -0.95 0 C-N-CA 120.701 -0.399 . . . . 0.0 110.333 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 58.9 t -64.25 -42.39 95.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.347 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 18.1 mmt -60.18 -34.62 73.85 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.364 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 51.1 ttm-85 -54.11 -37.29 64.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.763 -179.201 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 99.1 mtp -63.81 -39.08 93.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.065 0.459 . . . . 0.0 110.528 179.463 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 99.5 mt -67.45 -27.87 67.4 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.473 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.84 25.98 6.96 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -120.2 141.44 49.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.811 0.339 . . . . 0.0 110.719 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 -132.01 69.64 80.69 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.275 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -75.33 -167.41 0.43 Allowed 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 123.083 2.522 . . . . 0.0 112.206 -179.485 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 16.6 p -106.33 152.83 40.66 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.811 -179.511 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -60.5 -31.37 92.36 Favored 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.355 2.037 . . . . 0.0 112.219 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -64.0 -41.24 97.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.157 0.504 . . . . 0.0 110.026 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -66.22 -41.58 89.89 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.108 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 63.7 mt -64.88 -37.91 89.2 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.292 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -60.92 -44.62 96.94 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.499 -179.524 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -67.53 -37.85 83.37 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.52 179.439 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 28.4 ttt -59.7 -45.26 92.67 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.332 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 61' ' ' ILE . . . . . 0.51 HG21 ' C ' ' C' ' 70' ' ' GLY . 96.0 mt -63.85 -41.47 92.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.466 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -59.44 -41.95 90.78 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.759 -179.317 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -66.36 -42.23 88.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.842 0.353 . . . . 0.0 110.345 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 96.7 t -77.48 -32.64 18.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.789 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 65' ' ' ASP . . . . . 0.545 ' OD2' ' N ' ' C' ' 69' ' ' SER . 59.5 t0 -83.93 111.41 19.22 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.514 -179.542 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -65.69 -37.9 87.74 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.616 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.64 -11.43 51.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 -179.488 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.76 20.15 73.94 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 69' ' ' SER . . . . . 0.545 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 41.1 m -49.66 -27.71 5.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.828 0.347 . . . . 0.0 110.268 -179.518 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 70' ' ' GLY . . . . . 0.51 ' C ' HG21 ' C' ' 61' ' ' ILE . . . 96.82 -7.12 64.99 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 179.728 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 66.2 p -140.39 163.27 33.24 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.704 0.288 . . . . 0.0 110.612 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 56.0 t -111.24 123.21 66.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.531 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 73' ' ' ASP . . . . . 0.437 ' H ' ' HB2' ' C' ' 76' ' ' GLU . 16.6 t0 -96.63 -170.58 2.09 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.686 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 74' ' ' PHE . . . . . 0.639 ' CZ ' ' CD1' ' C' ' 24' ' ' PHE . 64.7 m-85 -60.5 -49.92 75.61 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.125 -179.673 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -63.36 -45.18 92.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.128 0.489 . . . . 0.0 110.867 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 76' ' ' GLU . . . . . 0.437 ' HB2' ' H ' ' C' ' 73' ' ' ASP . 50.6 mt-10 -64.43 -36.35 83.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.566 178.817 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -58.53 -47.05 85.45 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 78' ' ' LEU . . . . . 0.454 HD21 ' CG ' ' C' ' 20' ' ' PHE . 87.7 mt -62.32 -38.34 89.07 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.339 -0.544 . . . . 0.0 110.546 179.535 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 79' ' ' VAL . . . . . 0.778 HG13 ' OH ' ' C' ' 5' ' ' TYR . 78.9 t -64.62 -42.25 94.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.823 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 2.0 ptt? -62.79 -30.81 71.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.982 -178.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 1.9 mtp -68.16 -53.42 25.25 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.447 -179.263 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 74.7 t -66.41 -42.96 91.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.652 179.234 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -62.05 -40.63 96.39 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.667 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 84' ' ' CYS . . . . . 0.406 ' O ' ' OD1' ' C' ' 88' ' ' ASP . 42.9 t -57.31 -46.7 82.93 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.209 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 82.6 mmm -63.07 -41.91 99.56 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.443 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -68.39 -39.86 81.56 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.648 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 87' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -59.49 -38.78 81.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.646 -178.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 88' ' ' ASP . . . . . 0.422 ' OD1' ' O ' ' C' ' 88' ' ' ASP . 58.3 p30 -120.27 72.37 0.94 Allowed 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.881 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 15.9 t . . . . . 0 C--N 1.326 -0.441 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.609 179.641 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' I' I ' 144' ' ' ARG . . . . . . . . . . . . . 87.9 mtm180 . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' I' I ' 145' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -64.54 -18.2 64.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.801 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 146' ' ' VAL . . . . . . . . . . . . . 30.0 m -71.78 -17.81 19.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.766 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 147' ' ' ARG . . . . . . . . . . . . . 54.2 ttt180 -77.52 123.07 26.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.326 -179.583 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 148' ' ' ILE . . . . . . . . . . . . . 36.6 mt -126.7 -62.65 1.23 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.955 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 149' ' ' SER . . . . . 0.402 ' OG ' ' N ' ' I' ' 150' ' ' ALA . 29.6 t 50.74 -157.78 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.284 -179.739 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' I' I ' 150' ' ' ALA . . . . . 0.402 ' N ' ' OG ' ' I' ' 149' ' ' SER . . . -92.85 -16.01 25.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.428 179.713 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' I' I ' 151' ' ' ASP . . . . . 0.458 ' OD1' ' NE2' ' I' ' 155' ' ' GLN . 64.9 t0 -60.99 -47.99 83.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.759 -179.526 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . -61.72 -41.54 97.76 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.564 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 72.8 mtp -67.35 -40.14 85.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.26 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 154' ' ' MET . . . . . . . . . . . . . 8.4 mmt -63.34 -41.81 98.9 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.787 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 155' ' ' GLN . . . . . 0.458 ' NE2' ' OD1' ' I' ' 151' ' ' ASP . 74.0 mt-30 -63.15 -39.56 95.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.419 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . -61.43 -38.78 88.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.475 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 157' ' ' LEU . . . . . . . . . . . . . 95.7 mt -89.28 117.16 28.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.724 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 158' ' ' LEU . . . . . . . . . . . . . 1.4 pp -63.28 -11.42 21.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.537 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 159' ' ' GLY . . . . . . . . . . . . . . . -60.51 -39.54 96.52 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 160' ' ' ALA . . . . . . . . . . . . . . . -93.07 161.32 14.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.741 0.305 . . . . 0.0 110.534 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 161' ' ' ARG . . . . . . . . . . . . . 20.0 ptp180 -128.76 155.29 45.36 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.414 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 162' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -136.24 119.97 17.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.668 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 163' ' ' LYS . . . . . . . . . . . . . 51.3 mttp -107.11 -30.1 8.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.686 179.254 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 164' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -151.8 -49.69 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.538 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 165' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 173.85 169.93 0.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.587 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' I' I ' 166' ' ' LEU . . . . . . . . . . . . . 86.4 mt -87.2 64.24 8.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.521 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 167' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -132.67 -179.48 5.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.625 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 168' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 51.08 81.99 0.06 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.456 179.739 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' I' I ' 169' ' ' ARG . . . . . . . . . . . . . 18.2 mmt85 55.92 46.65 21.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.488 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 170' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 118.079 -0.962 . . . . 0.0 110.705 -179.968 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 83.0 mtp . . . . . 0 N--CA 1.489 1.508 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -79.88 -29.84 40.04 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -61.49 -45.73 93.01 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.893 -179.407 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 16.0 tt -74.14 -32.07 31.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.339 179.418 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 5' ' ' TYR . . . . . 0.45 ' OH ' ' O ' ' C' ' 79' ' ' VAL . 10.9 t80 -61.26 -50.18 74.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.933 0.397 . . . . 0.0 110.54 -179.23 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -64.1 -42.58 96.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.046 0.45 . . . . 0.0 110.101 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.49 -36.22 83.03 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.33 179.211 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.7 -43.6 97.57 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.259 -179.378 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 53.1 t -63.63 -47.48 91.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.865 179.346 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -67.06 -29.09 68.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.536 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 9.6 tp-100 -61.81 -27.5 68.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.521 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 95.7 mt -55.16 133.66 49.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.117 0.484 . . . . 0.0 110.711 -179.691 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 82.1 p -80.48 166.99 20.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.65 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 14' ' ' GLU . . . . . 0.44 ' H ' ' CD ' ' C' ' 14' ' ' GLU . 43.5 mp0 -62.93 -39.24 93.98 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.389 -179.391 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -67.92 -41.29 82.85 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.875 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 26.6 mm100 -63.52 -40.79 97.96 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.138 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 19.3 mtpp -63.91 -39.78 94.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.515 179.017 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -63.35 -39.9 95.8 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.057 -0.657 . . . . 0.0 111.109 179.697 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -61.86 -40.17 94.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.596 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 20' ' ' PHE . . . . . 0.865 ' CE2' HD21 ' C' ' 78' ' ' LEU . 0.0 OUTLIER -74.24 -41.03 61.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.806 179.56 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.46 -42.54 70.75 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.285 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.01 -40.91 95.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.008 0.432 . . . . 0.0 110.049 179.423 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.45 -39.76 94.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.355 179.474 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -58.9 -46.99 86.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.231 -179.554 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 25' ' ' ASP . . . . . 0.435 ' O ' HG22 ' C' ' 28' ' ' VAL . 96.7 m-20 -62.21 -35.0 77.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.095 179.607 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 26' ' ' ILE . . . . . 0.424 ' O ' HD23 ' C' ' 29' ' ' LEU . 94.5 mt -75.84 -37.84 35.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.827 179.02 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 27' ' ' PHE . . . . . 0.431 ' C ' ' H ' ' C' ' 29' ' ' LEU . 1.4 m-85 -59.56 -37.42 78.39 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.41 -179.567 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 28' ' ' VAL . . . . . 0.435 HG22 ' O ' ' C' ' 25' ' ' ASP . 26.4 m -72.06 13.96 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.994 -179.269 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 29' ' ' LEU . . . . . 0.431 ' H ' ' C ' ' C' ' 27' ' ' PHE . 2.8 pp -50.47 -38.86 46.1 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.724 179.582 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 30' ' ' GLY . . . . . 0.426 ' N ' HD12 ' C' ' 29' ' ' LEU . . . -85.35 -1.46 88.06 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 -179.089 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 31' ' ' ALA . . . . . 0.439 ' CB ' ' O ' ' C' ' 35' ' ' CYS . . . -128.39 102.36 6.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.92 0.39 . . . . 0.0 110.35 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 25.6 pt-20 -65.44 -19.83 66.1 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.271 0.558 . . . . 0.0 110.981 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.21 -15.74 63.7 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.679 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.73 12.65 71.53 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.534 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 35' ' ' CYS . . . . . 0.439 ' O ' ' CB ' ' C' ' 31' ' ' ALA . 72.8 m -125.79 153.6 43.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.863 0.363 . . . . 0.0 110.729 179.774 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 96.8 mt -94.87 127.14 47.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.625 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 94.2 p -142.12 -169.27 2.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.465 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 59.3 p -59.28 -36.74 76.12 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.288 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -62.95 -43.69 98.11 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.687 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -68.33 -41.31 80.99 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.308 0.575 . . . . 0.0 110.731 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.39 -28.12 69.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.2 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.87 -39.87 97.49 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.715 -0.954 . . . . 0.0 110.715 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.44 -41.15 69.83 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-O 121.012 0.434 . . . . 0.0 110.41 179.758 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 74.7 t -63.56 -45.73 96.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.667 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 8.0 mmt -62.25 -40.67 96.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.83 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -60.96 -41.37 96.23 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.502 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 28.2 ttt -60.2 -39.98 88.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.681 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 96.7 mt -73.46 -6.87 49.13 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.577 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 91.37 11.45 60.99 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -97.39 142.96 28.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.988 0.423 . . . . 0.0 110.503 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -130.34 67.99 80.7 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.569 179.614 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -74.5 -169.04 0.54 Allowed 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.796 2.331 . . . . 0.0 111.928 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.37 158.03 75.6 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.454 -179.633 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -49.59 -25.4 10.91 Favored 'Trans proline' 0 N--CA 1.492 1.388 0 C-N-CA 122.084 1.856 . . . . 0.0 112.477 179.152 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -65.56 -51.65 58.24 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.112 0.482 . . . . 0.0 111.365 -178.468 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.68 -33.44 53.27 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.947 -179.068 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 54.5 mt -64.66 -42.95 95.04 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.063 0.459 . . . . 0.0 110.576 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 58' ' ' GLN . . . . . 0.441 ' O ' ' OD2' ' C' ' 62' ' ' ASP . 11.6 tp-100 -66.91 -44.23 81.3 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.588 179.762 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -62.85 -37.37 86.57 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.711 -179.197 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 60.4 ttm -60.54 -48.12 83.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.338 0.589 . . . . 0.0 110.525 -179.718 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 61' ' ' ILE . . . . . 0.555 HG21 ' C ' ' C' ' 70' ' ' GLY . 95.3 mt -62.99 -38.85 83.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.335 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 62' ' ' ASP . . . . . 0.441 ' OD2' ' O ' ' C' ' 58' ' ' GLN . 3.7 m-20 -57.89 -41.06 81.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.523 -179.561 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -63.44 -39.82 95.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.919 0.39 . . . . 0.0 110.025 179.277 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 67.5 t -77.07 -32.05 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.51 179.648 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 65' ' ' ASP . . . . . 0.458 ' OD2' ' O ' ' C' ' 71' ' ' THR . 91.7 m-20 -87.78 120.5 29.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.92 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -68.62 -39.38 80.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.477 179.21 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 57.0 p30 -82.86 -10.77 58.68 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.994 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 67.0 24.02 72.99 Favored Glycine 0 CA--C 1.52 0.398 0 N-CA-C 110.5 -1.04 . . . . 0.0 110.5 179.549 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 89.7 p -57.89 -31.21 66.51 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.63 -179.371 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 70' ' ' GLY . . . . . 0.555 ' C ' HG21 ' C' ' 61' ' ' ILE . . . 102.29 -1.29 50.38 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 71' ' ' THR . . . . . 0.458 ' O ' ' OD2' ' C' ' 65' ' ' ASP . 38.5 p -130.7 154.95 47.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.707 0.289 . . . . 0.0 110.321 179.68 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 54.2 t -103.65 126.11 58.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.232 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.2 177.75 6.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.634 -179.47 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 74' ' ' PHE . . . . . 0.559 ' CZ ' ' CZ ' ' C' ' 20' ' ' PHE . 16.5 t80 -60.77 -49.62 76.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.558 -178.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -66.15 -40.21 90.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.615 179.235 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -63.5 -39.33 94.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.327 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -62.6 -42.08 99.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.953 -179.674 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 78' ' ' LEU . . . . . 0.865 HD21 ' CE2' ' C' ' 20' ' ' PHE . 78.0 mt -61.73 -39.34 91.21 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.831 179.723 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 79' ' ' VAL . . . . . 0.45 ' O ' ' OH ' ' C' ' 5' ' ' TYR . 61.2 t -63.27 -39.61 85.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.279 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -66.67 -35.62 80.58 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.001 0.429 . . . . 0.0 109.929 -178.699 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 68.4 mtp -65.68 -42.82 90.84 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.265 -179.336 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 72.8 t -65.53 -41.0 89.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.853 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 83' ' ' ARG . . . . . 0.567 ' O ' ' N ' ' C' ' 87' ' ' ASP . 12.7 mtp85 -56.03 -47.61 77.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.648 179.738 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 84' ' ' CYS . . . . . . . . . . . . . 95.6 m -61.59 -39.76 92.38 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.195 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 7.9 mmt -72.2 -41.5 66.89 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.075 -0.511 . . . . 0.0 112.122 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 16.2 mmtp -93.65 -6.93 45.28 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.828 0.347 . . . . 0.0 111.39 -179.057 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 87' ' ' ASP . . . . . 0.567 ' N ' ' O ' ' C' ' 83' ' ' ARG . 22.7 t0 -147.43 137.93 23.32 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.373 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -94.88 72.33 3.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.402 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.324 -0.521 0 CA-C-O 118.207 -0.902 . . . . 0.0 110.729 179.697 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' I' I ' 144' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' I' I ' 145' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -87.22 128.68 35.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.613 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 146' ' ' VAL . . . . . 0.511 HG12 ' HG3' ' I' ' 147' ' ' ARG . 57.6 t -100.9 -58.26 4.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.408 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' I' I ' 147' ' ' ARG . . . . . 0.551 ' O ' ' N ' ' I' ' 149' ' ' SER . 77.1 mtp85 -141.73 124.43 15.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.329 179.445 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' I' I ' 148' ' ' ILE . . . . . 0.497 ' O ' ' CG1' ' I' ' 148' ' ' ILE . 1.7 tt 26.2 40.66 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 O-C-N 123.929 0.768 . . . . 0.0 111.062 179.636 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' I' I ' 149' ' ' SER . . . . . 0.551 ' N ' ' O ' ' I' ' 147' ' ' ARG . 15.2 m 46.56 73.77 0.17 Allowed 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.856 -179.237 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' I' I ' 150' ' ' ALA . . . . . . . . . . . . . . . -58.47 -37.95 76.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.515 -179.224 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 151' ' ' ASP . . . . . 0.481 ' OD1' ' N ' ' I' ' 152' ' ' ALA . 59.1 p30 -59.4 -15.97 20.25 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.0 0.428 . . . . 0.0 110.511 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' I' I ' 152' ' ' ALA . . . . . 0.481 ' N ' ' OD1' ' I' ' 151' ' ' ASP . . . -61.59 -38.27 86.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.665 179.573 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.67 -48.88 78.27 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.912 -179.516 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' I' I ' 154' ' ' MET . . . . . 0.48 ' O ' ' O ' ' I' ' 157' ' ' LEU . 17.9 mmt -63.59 -39.75 95.19 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.908 179.236 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -64.48 -39.99 94.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.866 0.365 . . . . 0.0 110.897 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . -61.43 -41.13 96.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.811 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 157' ' ' LEU . . . . . 0.48 ' O ' ' O ' ' I' ' 154' ' ' MET . 1.4 pp -108.86 -174.68 2.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.265 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' I' I ' 158' ' ' LEU . . . . . . . . . . . . . 2.3 mp -120.23 118.81 31.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.509 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 159' ' ' GLY . . . . . . . . . . . . . . . -140.94 -99.75 0.39 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 160' ' ' ALA . . . . . . . . . . . . . . . -74.13 1.98 9.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.807 0.337 . . . . 0.0 110.543 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 161' ' ' ARG . . . . . . . . . . . . . 3.6 tpp180 55.16 16.61 1.66 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.415 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 162' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 56.34 34.32 23.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.317 0.58 . . . . 0.0 110.586 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' I' I ' 163' ' ' LYS . . . . . 0.521 ' O ' ' N ' ' I' ' 165' ' ' SER . 54.1 mttp -47.63 109.7 0.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.045 0.45 . . . . 0.0 110.486 179.473 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' I' I ' 164' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 58.45 -78.21 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.464 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 165' ' ' SER . . . . . 0.521 ' N ' ' O ' ' I' ' 163' ' ' LYS . 50.6 m -156.2 77.64 0.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.441 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' I' I ' 166' ' ' LEU . . . . . . . . . . . . . 95.7 mt 43.68 -128.58 0.85 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.539 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 167' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -104.61 138.78 40.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.544 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 168' ' ' LEU . . . . . . . . . . . . . 41.6 mt -89.8 0.75 56.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.704 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 169' ' ' ARG . . . . . . . . . . . . . 80.1 mtm180 53.99 42.61 31.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.376 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 170' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.653 -179.851 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 66.9 ttp . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -55.89 -13.44 1.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.454 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -60.5 -39.34 87.39 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.52 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 51.2 mm -63.93 -41.0 91.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.739 -179.292 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 5' ' ' TYR . . . . . 0.444 ' OH ' ' O ' ' C' ' 79' ' ' VAL . 9.5 t80 -64.39 -45.8 86.11 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 -179.198 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 47.8 mmtt -62.63 -41.46 99.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.09 0.472 . . . . 0.0 110.795 179.38 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 7' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' C' ' 11' ' ' GLN . . . -62.04 -38.28 88.09 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.953 179.333 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.45 -40.09 93.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.199 0.523 . . . . 0.0 110.772 -179.463 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 9' ' ' VAL . . . . . 0.506 ' O ' HD11 ' C' ' 12' ' ' LEU . 54.2 t -68.3 -32.4 55.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.025 179.448 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -90.2 -27.46 19.52 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.099 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 11' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' C' ' 7' ' ' ALA . 34.5 mt-30 -67.64 -39.67 84.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.971 179.269 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 12' ' ' LEU . . . . . 0.568 ' O ' HD12 ' C' ' 12' ' ' LEU . 0.7 OUTLIER -46.34 172.26 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.539 0 CA-C-O 121.138 0.494 . . . . 0.0 111.011 -179.402 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 30.8 p -106.82 171.87 7.13 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.5 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.38 -35.07 78.02 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.079 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -61.62 -43.61 98.55 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.51 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -66.08 -39.06 89.73 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.421 0.629 . . . . 0.0 109.895 179.272 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.72 -27.51 61.23 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.079 179.082 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -69.02 -50.43 48.75 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 120.427 -0.509 . . . . 0.0 111.733 -179.461 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -64.97 -40.04 94.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.11 0.481 . . . . 0.0 110.151 -179.289 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 20' ' ' PHE . . . . . 0.59 ' CD1' ' N ' ' C' ' 21' ' ' LYS . 0.1 OUTLIER -60.37 -48.87 79.87 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.373 179.368 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 21' ' ' LYS . . . . . 0.59 ' N ' ' CD1' ' C' ' 20' ' ' PHE . 63.3 tttm -61.02 -43.54 98.74 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.481 179.759 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.44 -42.57 98.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.743 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.74 -39.83 95.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.671 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 24' ' ' PHE . . . . . 0.403 ' O ' HG22 ' C' ' 28' ' ' VAL . 70.9 t80 -60.33 -44.86 95.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.37 -179.462 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.15 -41.28 96.47 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.856 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 26' ' ' ILE . . . . . 0.49 ' O ' HD23 ' C' ' 29' ' ' LEU . 97.2 mt -68.86 -40.43 81.23 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.305 0 CA-C-O 121.117 0.484 . . . . 0.0 110.696 179.384 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -59.54 -38.32 80.75 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.087 -179.5 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 28' ' ' VAL . . . . . 0.531 HG11 ' O ' ' C' ' 34' ' ' GLY . 23.1 m -92.43 32.28 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.047 -179.499 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 29' ' ' LEU . . . . . 0.49 HD23 ' O ' ' C' ' 26' ' ' ILE . 2.7 pp -60.92 -35.95 78.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.771 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . -98.1 -3.73 57.79 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 111.282 -0.727 . . . . 0.0 111.282 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 31' ' ' ALA . . . . . 0.452 ' CB ' ' O ' ' C' ' 35' ' ' CYS . . . -105.89 106.97 17.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.775 0.322 . . . . 0.0 110.34 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -69.86 -32.1 70.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.239 0.542 . . . . 0.0 110.951 -179.595 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -69.26 -19.74 63.93 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.724 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 34' ' ' GLY . . . . . 0.531 ' O ' HG11 ' C' ' 28' ' ' VAL . . . 93.09 4.71 64.54 Favored Glycine 0 CA--C 1.521 0.441 0 N-CA-C 110.692 -0.963 . . . . 0.0 110.692 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 35' ' ' CYS . . . . . 0.452 ' O ' ' CB ' ' C' ' 31' ' ' ALA . 19.7 p -93.19 159.18 15.39 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 121.098 -0.241 . . . . 0.0 110.437 179.624 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 73.0 mt -115.76 123.43 71.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 N-CA-C 109.975 -0.379 . . . . 0.0 109.975 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 40.5 p -116.42 -172.05 2.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.18 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 68.8 p -64.85 -25.13 67.77 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.283 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -70.94 -47.79 57.05 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 25.4 mp0 -65.31 -38.94 91.72 Favored 'General case' 0 CA--C 1.522 -0.118 0 CA-C-O 120.784 0.326 . . . . 0.0 110.857 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 14.8 mt -64.03 -12.04 34.83 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.911 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.83 -37.94 93.26 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 43' ' ' LYS . . . . . 0.46 ' N ' ' CD ' ' C' ' 43' ' ' LYS . 2.6 mptp? -65.58 -38.06 88.42 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.958 0.409 . . . . 0.0 110.471 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 72.1 t -62.12 -46.27 96.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.729 -179.615 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 24.8 mmt -63.31 -39.1 93.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.738 -179.378 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 56.3 ttp180 -59.5 -42.23 91.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.077 0.465 . . . . 0.0 110.074 -179.414 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 25.2 mmt -63.97 -37.13 86.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.468 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 91.9 mt -78.29 -3.02 40.83 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.571 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.16 25.85 67.74 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -115.03 142.72 46.25 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 121.03 0.443 . . . . 0.0 110.541 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 21.2 p30 -135.65 68.97 66.64 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 115.778 -0.647 . . . . 0.0 111.039 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -75.41 -168.48 0.53 Allowed 'Trans proline' 0 C--N 1.306 -1.705 0 C-N-CA 122.946 2.431 . . . . 0.0 112.026 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 2.5 p -105.15 156.04 36.79 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.377 -179.346 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -52.18 -36.89 68.6 Favored 'Trans proline' 0 N--CA 1.497 1.69 0 C-N-CA 122.118 1.879 . . . . 0.0 112.229 179.081 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -64.41 -39.77 94.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.291 0.567 . . . . 0.0 110.579 -179.188 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -65.45 -41.26 93.62 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.377 -179.615 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 11.7 mt -61.82 -39.36 91.51 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.701 179.63 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 71.2 tp60 -63.92 -41.87 97.54 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.545 -179.568 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -65.24 -38.52 90.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.774 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 22.2 mmt -61.15 -42.57 98.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.679 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 61' ' ' ILE . . . . . 0.544 HG21 ' C ' ' C' ' 70' ' ' GLY . 96.2 mt -65.9 -40.3 87.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.647 179.51 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 60.9 t0 -59.66 -44.93 93.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.072 -179.311 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -63.99 -40.71 96.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.816 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 93.9 t -81.16 -32.28 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 65' ' ' ASP . . . . . 0.517 ' OD2' ' N ' ' C' ' 69' ' ' SER . 68.0 t0 -76.62 118.28 19.1 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.981 -179.557 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -67.18 -40.97 86.63 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.94 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 67' ' ' ASP . . . . . 0.438 ' OD1' ' OD2' ' C' ' 65' ' ' ASP . 2.3 p30 -82.79 -12.74 57.26 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.082 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 66.11 22.8 70.98 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 110.625 -0.99 . . . . 0.0 110.625 179.051 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 69' ' ' SER . . . . . 0.517 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 90.7 p -60.51 -22.09 63.19 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.743 0.306 . . . . 0.0 110.807 -179.52 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 70' ' ' GLY . . . . . 0.544 ' C ' HG21 ' C' ' 61' ' ' ILE . . . 93.72 -9.22 73.71 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.772 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 72.3 p -130.45 159.92 35.61 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 48.4 t -111.66 124.5 68.48 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-O 121.016 0.436 . . . . 0.0 110.137 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 73' ' ' ASP . . . . . 0.447 ' H ' ' HB2' ' C' ' 76' ' ' GLU . 97.8 m-20 -91.81 -178.76 5.13 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.663 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -59.17 -50.27 74.66 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.428 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 75' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' C' ' 76' ' ' GLU . 43.1 p-10 -68.61 -39.16 80.97 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.741 179.699 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 76' ' ' GLU . . . . . 0.532 ' N ' ' OD1' ' C' ' 75' ' ' ASP . 98.3 mt-10 -64.67 -39.21 93.29 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.962 0.41 . . . . 0.0 110.551 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -62.81 -41.47 99.31 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -179.582 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 11.4 tp -62.56 -38.32 89.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.014 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 79' ' ' VAL . . . . . 0.465 HG23 ' O ' ' C' ' 75' ' ' ASP . 87.1 t -65.01 -39.82 86.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.627 -179.491 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 16.4 tmm? -63.78 -39.98 95.56 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.639 -179.361 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 17.3 ttt -61.7 -50.46 72.36 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.506 -179.408 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 66.0 t -67.94 -41.69 84.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.696 179.361 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 38.6 ttt85 -60.46 -42.09 95.5 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-O 120.903 0.382 . . . . 0.0 110.436 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 84' ' ' CYS . . . . . . . . . . . . . 52.6 t -60.49 -44.56 95.83 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.392 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 3.3 mmt -63.36 -60.54 3.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.329 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.91 -9.13 18.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.681 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 87' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -42.94 130.23 4.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.365 -179.631 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -120.08 73.68 0.99 Allowed 'General case' 0 C--O 1.232 0.132 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.5 -179.666 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 5.0 t . . . . . 0 C--N 1.323 -0.544 0 CA-C-O 118.039 -0.982 . . . . 0.0 110.823 179.737 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' I' I ' 144' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' I' I ' 145' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 58.19 74.12 0.44 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.69 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 146' ' ' VAL . . . . . . . . . . . . . 11.4 p -142.43 136.85 28.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.537 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 147' ' ' ARG . . . . . 0.437 ' O ' ' O ' ' I' ' 148' ' ' ILE . 72.6 mmt-85 51.82 74.05 0.28 Allowed 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.845 179.509 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' I' I ' 148' ' ' ILE . . . . . 0.437 ' O ' ' O ' ' I' ' 147' ' ' ARG . 93.4 mt 58.43 147.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.462 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' I' I ' 149' ' ' SER . . . . . . . . . . . . . 35.2 p -156.93 -118.86 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.482 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 150' ' ' ALA . . . . . . . . . . . . . . . -130.74 -46.04 1.05 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.637 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 151' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -63.07 -38.41 91.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.406 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . -61.34 -41.49 97.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.768 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 66.1 mtt -63.27 -41.01 98.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.846 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 154' ' ' MET . . . . . . . . . . . . . 37.5 mmt -63.46 -41.64 98.62 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.33 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -64.75 -40.77 95.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.988 0.423 . . . . 0.0 110.552 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . -61.84 -37.84 85.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.487 179.707 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 157' ' ' LEU . . . . . 0.473 ' O ' ' CB ' ' I' ' 158' ' ' LEU . 20.0 mt -71.85 0.82 8.16 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.67 -179.405 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' I' I ' 158' ' ' LEU . . . . . 0.473 ' CB ' ' O ' ' I' ' 157' ' ' LEU . 2.1 tp 80.6 -67.04 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.22 179.668 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' I' I ' 159' ' ' GLY . . . . . . . . . . . . . . . 56.16 -130.11 48.83 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 160' ' ' ALA . . . . . . . . . . . . . . . -98.94 -156.92 0.57 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.765 0.317 . . . . 0.0 110.494 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 161' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -76.16 -16.55 59.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.568 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 162' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 56.25 19.27 3.79 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.691 -179.664 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 163' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -62.94 -44.23 96.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.749 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 164' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -102.14 -1.81 30.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.763 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 165' ' ' SER . . . . . . . . . . . . . 1.4 t 69.67 -157.81 0.16 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.379 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 166' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.48 -45.86 16.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.743 -179.741 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' I' I ' 167' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -161.4 -47.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.573 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 168' ' ' LEU . . . . . 0.408 ' H ' HD12 ' I' ' 168' ' ' LEU . 0.3 OUTLIER -152.33 -173.87 4.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.665 -179.671 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' I' I ' 169' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -49.03 129.8 17.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.541 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 170' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 118.071 -0.966 . . . . 0.0 110.519 -179.95 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -61.55 -40.47 94.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.531 -179.681 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -62.52 -42.32 99.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.348 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 48.6 mm -65.11 -41.95 93.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.48 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 5' ' ' TYR . . . . . 0.518 ' OH ' HG13 ' C' ' 79' ' ' VAL . 49.0 t80 -59.02 -49.8 76.5 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.794 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -61.52 -47.33 86.07 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.365 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 7' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' C' ' 11' ' ' GLN . . . -65.03 -37.92 89.19 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.723 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.95 -44.59 95.65 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.835 -179.139 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 77.4 t -70.3 -42.35 78.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.277 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -81.78 -17.04 49.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.691 -179.455 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 11' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' C' ' 7' ' ' ALA . 4.1 tt0 -128.09 33.13 4.79 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.958 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 12' ' ' LEU . . . . . 0.63 HD23 ' N ' ' C' ' 12' ' ' LEU . 0.5 OUTLIER -63.45 172.89 1.8 Allowed 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 121.124 0.488 . . . . 0.0 110.889 179.31 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 60.0 p -88.72 159.15 17.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.103 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -68.95 -32.17 71.57 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.511 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -64.57 -40.58 95.8 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.887 179.475 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -64.22 -39.74 94.61 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.993 178.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -60.81 -40.62 93.43 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.789 179.698 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -66.13 -45.95 79.25 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 119.993 -0.683 . . . . 0.0 110.503 -179.356 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -65.3 -40.4 93.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.552 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 20' ' ' PHE . . . . . 0.46 ' CG ' ' N ' ' C' ' 21' ' ' LYS . 0.0 OUTLIER -58.43 -51.67 68.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.958 179.74 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 21' ' ' LYS . . . . . 0.46 ' N ' ' CG ' ' C' ' 20' ' ' PHE . 0.8 OUTLIER -62.41 -42.58 99.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.379 -179.863 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.9 -42.92 99.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.991 0.424 . . . . 0.0 110.919 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.62 -40.17 96.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.613 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 24' ' ' PHE . . . . . 0.696 ' O ' HG22 ' C' ' 28' ' ' VAL . 32.7 t80 -61.69 -41.04 97.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.035 -179.553 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -62.85 -41.42 99.36 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.738 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 97.9 mt -65.74 -44.06 93.31 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 CA-C-O 120.985 0.422 . . . . 0.0 110.726 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -60.55 -42.13 95.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.079 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 28' ' ' VAL . . . . . 0.696 HG22 ' O ' ' C' ' 24' ' ' PHE . 25.2 m -91.38 33.47 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.222 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -37.79 83.55 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 O-C-N 123.694 0.621 . . . . 0.0 111.245 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 30' ' ' GLY . . . . . 0.626 ' N ' ' O ' ' C' ' 28' ' ' VAL . . . 56.35 31.81 60.0 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.598 -1.001 . . . . 0.0 110.598 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.52 131.36 45.94 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.596 -179.391 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -66.28 -29.2 69.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.86 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -85.43 -20.71 29.4 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.889 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 77.23 9.54 86.74 Favored Glycine 0 CA--C 1.521 0.417 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 35' ' ' CYS . . . . . . . . . . . . . 66.8 m -139.95 169.87 16.9 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.811 0.339 . . . . 0.0 110.95 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 4.8 mp -96.3 117.25 40.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.43 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 37' ' ' SER . . . . . 0.411 ' N ' ' OE1' ' C' ' 40' ' ' GLU . 3.7 p -127.73 -168.83 1.95 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.018 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 82.7 p -65.54 -25.34 67.39 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.486 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -76.73 -48.17 19.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.029 0.443 . . . . 0.0 110.522 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 40' ' ' GLU . . . . . 0.411 ' OE1' ' N ' ' C' ' 37' ' ' SER . 61.1 mp0 -63.43 -42.94 98.71 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.279 0.562 . . . . 0.0 110.369 -179.344 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 41' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' C' ' 41' ' ' LEU . 92.7 mt -65.81 -36.04 82.4 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.295 179.491 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.38 -40.48 96.1 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -66.53 -40.75 89.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.021 0.439 . . . . 0.0 110.376 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 64.9 t -67.45 -42.66 87.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.777 179.526 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 20.0 mmt -59.96 -36.06 76.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.86 -179.357 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -53.68 -38.64 64.38 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.045 -179.589 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 73.4 mtm -72.3 -20.78 61.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.97 0.414 . . . . 0.0 110.647 179.445 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 91.4 mt -86.06 -3.2 58.89 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.477 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.59 16.82 72.37 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -116.04 134.56 54.83 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.042 0.448 . . . . 0.0 110.365 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 -132.43 70.12 79.81 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.557 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -75.49 -170.55 0.83 Allowed 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.868 2.379 . . . . 0.0 112.04 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 16.0 p -111.52 151.47 43.31 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.951 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -45.78 -35.37 13.38 Favored 'Trans proline' 0 C--N 1.314 -1.285 0 C-N-CA 122.29 1.993 . . . . 0.0 112.254 179.294 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -64.59 -42.6 95.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.12 0.486 . . . . 0.0 110.398 -179.496 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -69.56 -41.26 76.1 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.402 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 57' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' C' ' 57' ' ' LEU . 96.0 mt -64.5 -37.92 89.23 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.196 179.693 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 23.1 tm0? -61.92 -42.95 99.69 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.668 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -63.72 -40.89 97.89 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.478 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 89.9 mmm -61.01 -44.03 98.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.917 0.389 . . . . 0.0 110.321 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 61' ' ' ILE . . . . . 0.582 HG21 ' C ' ' C' ' 70' ' ' GLY . 96.1 mt -65.48 -45.86 91.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.518 179.474 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -57.2 -33.74 67.8 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.897 -179.095 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -60.18 -39.48 86.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.671 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 10.7 m -104.97 6.38 10.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.976 -179.476 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 65' ' ' ASP . . . . . 0.538 ' CG ' ' H ' ' C' ' 68' ' ' GLY . 51.1 t0 -84.94 132.89 34.3 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.769 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -85.43 -34.33 21.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.041 179.475 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 67' ' ' ASP . . . . . 0.472 ' OD1' ' OD1' ' C' ' 65' ' ' ASP . 59.2 p30 -102.81 -9.94 19.53 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.224 -179.791 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 68' ' ' GLY . . . . . 0.538 ' H ' ' CG ' ' C' ' 65' ' ' ASP . . . 70.46 17.29 74.39 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.473 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 69' ' ' SER . . . . . 0.534 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 98.4 p -62.62 -19.09 63.43 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.669 0.271 . . . . 0.0 110.735 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 70' ' ' GLY . . . . . 0.582 ' C ' HG21 ' C' ' 61' ' ' ILE . . . 94.87 5.26 61.23 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 110.859 -0.897 . . . . 0.0 110.859 -179.782 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 79.1 p -133.39 161.79 33.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.506 0.194 . . . . 0.0 110.599 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 56.0 t -112.09 122.14 65.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.921 0.391 . . . . 0.0 110.153 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 73' ' ' ASP . . . . . 0.478 ' CG ' ' H ' ' C' ' 74' ' ' PHE . 43.5 t0 -90.18 -178.17 5.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.795 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 74' ' ' PHE . . . . . 0.622 ' CZ ' ' CE1' ' C' ' 24' ' ' PHE . 8.3 m-85 -59.43 -51.52 69.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.494 -179.706 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 75' ' ' ASP . . . . . 0.544 ' OD1' ' N ' ' C' ' 76' ' ' GLU . 42.9 p-10 -65.32 -40.77 94.17 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.232 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 76' ' ' GLU . . . . . 0.544 ' N ' ' OD1' ' C' ' 75' ' ' ASP . 98.8 mt-10 -64.25 -39.4 93.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.231 179.625 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -62.65 -43.08 99.72 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.151 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 27.0 tp -62.72 -39.94 95.61 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.449 -179.284 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 79' ' ' VAL . . . . . 0.518 HG13 ' OH ' ' C' ' 5' ' ' TYR . 68.5 t -63.09 -46.99 94.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.299 -179.354 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 80' ' ' MET . . . . . 0.442 ' C ' ' SD ' ' C' ' 80' ' ' MET . 0.0 OUTLIER -70.7 -23.88 62.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.006 0.431 . . . . 0.0 110.258 -179.346 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 81' ' ' MET . . . . . 0.464 ' O ' ' SG ' ' C' ' 84' ' ' CYS . 14.9 tpt -66.61 -52.43 45.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.601 -179.513 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 76.3 t -70.94 -42.0 77.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.623 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 49.9 ttm-85 -60.97 -46.82 89.21 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.097 -179.615 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 84' ' ' CYS . . . . . 0.464 ' SG ' ' O ' ' C' ' 81' ' ' MET . 21.1 p -65.19 -31.93 73.36 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.606 -0.438 . . . . 0.0 110.325 -179.706 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 10.5 tpt -66.97 -40.47 87.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.93 0.395 . . . . 0.0 110.465 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp -91.69 -0.66 57.58 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.777 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 87' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 66.16 169.97 0.23 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.275 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 88' ' ' ASP . . . . . 0.425 ' O ' ' OD1' ' C' ' 88' ' ' ASP . 59.0 p-10 -123.48 71.53 1.09 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.596 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.571 179.783 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' I' I ' 144' ' ' ARG . . . . . . . . . . . . . 36.7 ptt180 . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' I' I ' 145' ' ' ARG . . . . . . . . . . . . . 18.9 ttm-85 53.44 45.39 28.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.36 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 146' ' ' VAL . . . . . . . . . . . . . 33.6 m -41.56 146.91 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.581 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 147' ' ' ARG . . . . . . . . . . . . . 34.0 ttm105 -136.83 87.17 2.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.244 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 148' ' ' ILE . . . . . 0.403 ' O ' HG22 ' I' ' 148' ' ' ILE . 2.9 mm -134.23 -13.33 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 121.089 0.471 . . . . 0.0 110.255 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' I' I ' 149' ' ' SER . . . . . . . . . . . . . 70.7 m -46.5 146.41 1.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.422 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 150' ' ' ALA . . . . . . . . . . . . . . . -59.59 -42.92 93.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.5 -179.119 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 151' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -63.42 -43.4 97.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.906 0.384 . . . . 0.0 110.521 179.603 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . -64.48 -40.72 96.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.845 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 153' ' ' MET . . . . . 0.498 ' SD ' ' O ' ' I' ' 153' ' ' MET . 0.0 OUTLIER -59.78 -45.12 93.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.309 -179.252 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' I' I ' 154' ' ' MET . . . . . . . . . . . . . 36.5 mmt -62.63 -39.82 95.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.224 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -61.38 -51.85 67.07 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.568 -179.279 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . -61.92 -35.27 77.89 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.262 179.48 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 157' ' ' LEU . . . . . . . . . . . . . 52.6 tp -58.61 -44.07 89.8 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.369 -178.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 158' ' ' LEU . . . . . 0.507 HD23 ' C ' ' I' ' 158' ' ' LEU . 2.2 tt 167.69 -15.28 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 121.419 0.628 . . . . 0.0 110.074 -179.559 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' I' I ' 159' ' ' GLY . . . . . 0.414 ' O ' ' N ' ' I' ' 161' ' ' ARG . . . -49.52 -39.43 29.91 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.008 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' I' I ' 160' ' ' ALA . . . . . . . . . . . . . . . 51.68 -92.77 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.781 0.324 . . . . 0.0 110.615 179.666 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 161' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' I' ' 159' ' ' GLY . 64.1 mtm180 -124.44 135.78 53.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.606 179.787 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' I' I ' 162' ' ' HIS . . . . . . . . . . . . . 21.1 p80 -162.88 141.14 8.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.634 179.73 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 163' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -73.24 -19.31 61.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 179.537 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' I' I ' 164' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -76.47 96.65 4.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.991 0.424 . . . . 0.0 110.554 -179.503 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 165' ' ' SER . . . . . 0.456 ' O ' ' N ' ' I' ' 167' ' ' ASP . 66.4 m -74.45 -26.1 59.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.651 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' I' I ' 166' ' ' LEU . . . . . . . . . . . . . 85.8 mt 54.31 -87.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.571 -179.651 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 167' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' I' ' 165' ' ' SER . 97.6 m-20 -79.93 131.22 35.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.726 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' I' I ' 168' ' ' LEU . . . . . . . . . . . . . 64.5 mt -120.76 -27.9 4.97 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.734 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 169' ' ' ARG . . . . . . . . . . . . . 33.6 ptt180 -121.9 2.0 9.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.855 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 170' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.556 179.863 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpp? . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -89.45 124.48 34.52 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 121.046 0.45 . . . . 0.0 110.589 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 3' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' C' ' 3' ' ' ASP . 15.2 p-10 -66.99 -40.41 87.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.205 -179.811 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 4' ' ' ILE . . . . . 0.41 HD13 HG21 ' C' ' 4' ' ' ILE . 27.6 pt -62.03 -37.05 77.41 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 CA-C-O 120.985 0.421 . . . . 0.0 110.708 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 5' ' ' TYR . . . . . 0.729 ' OH ' HG13 ' C' ' 79' ' ' VAL . 85.1 t80 -62.48 -50.5 71.19 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.011 179.697 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -62.87 -44.51 95.93 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.054 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.69 -39.45 91.49 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.444 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.36 -46.58 88.0 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.059 -0.656 . . . . 0.0 110.731 -179.316 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 61.4 t -63.75 -46.79 93.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.808 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 40.5 tp10 -66.87 -34.07 76.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.189 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 11' ' ' GLN . . . . . 0.44 ' O ' ' C ' ' C' ' 12' ' ' LEU . 66.7 tt0 -61.1 -38.03 84.86 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.367 -179.287 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 12' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' C' ' 11' ' ' GLN . 91.0 mt -34.65 132.35 0.31 Allowed 'General case' 0 N--CA 1.464 0.258 0 O-C-N 123.355 0.41 . . . . 0.0 110.827 -179.522 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 13' ' ' THR . . . . . 0.43 ' OG1' ' OE1' ' C' ' 16' ' ' GLN . 67.9 p -75.72 166.03 24.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.802 -179.646 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -61.21 -33.69 73.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.287 0.565 . . . . 0.0 110.622 -179.493 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -73.11 -44.15 60.7 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.72 179.197 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 16' ' ' GLN . . . . . 0.43 ' OE1' ' OG1' ' C' ' 13' ' ' THR . 2.2 mp0 -59.09 -44.16 91.9 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.389 179.689 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -62.97 -39.45 94.71 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.513 179.365 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -63.51 -39.95 95.78 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 120.055 -0.658 . . . . 0.0 110.901 -179.486 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 19' ' ' GLU . . . . . 0.433 ' HB3' HD11 ' I' ' 158' ' ' LEU . 42.7 mt-10 -60.96 -43.66 98.43 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 120.95 0.405 . . . . 0.0 111.074 -179.482 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -64.7 -41.11 96.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.128 0.49 . . . . 0.0 110.393 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 40.0 tptt -62.0 -39.97 94.05 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.975 179.535 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.59 -42.77 93.28 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.789 -0.365 . . . . 0.0 110.108 -179.176 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.96 -39.98 96.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.344 179.132 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -60.21 -45.95 91.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.42 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -59.49 -45.64 91.1 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.915 0.388 . . . . 0.0 110.754 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 87.8 mt -63.44 -39.57 85.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.148 0.499 . . . . 0.0 110.666 179.267 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 27' ' ' PHE . . . . . 0.556 ' HB3' HD12 ' C' ' 36' ' ' ILE . 2.8 m-85 -56.96 -38.11 72.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.156 -179.354 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 28' ' ' VAL . . . . . 0.416 ' O ' ' C ' ' C' ' 29' ' ' LEU . 34.8 m -92.26 30.84 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.747 179.579 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 29' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' C' ' 28' ' ' VAL . 0.9 OUTLIER -35.35 -40.31 0.14 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.052 -179.911 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . -151.93 52.18 0.49 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.074 -0.811 . . . . 0.0 111.074 179.673 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -93.66 121.09 34.73 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.48 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -63.33 -39.54 94.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.683 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 56.8 p30 -79.5 -14.31 58.97 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.81 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.83 18.67 80.11 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 179.695 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 35' ' ' CYS . . . . . 0.425 ' C ' HD13 ' C' ' 36' ' ' ILE . 80.3 m -131.38 171.56 13.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.92 0.39 . . . . 0.0 110.854 -179.728 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 36' ' ' ILE . . . . . 0.577 ' N ' HD13 ' C' ' 36' ' ' ILE . 1.2 mm -94.21 121.97 45.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.074 -179.324 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 34.9 p -129.09 -167.06 1.73 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.103 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 71.5 p -64.55 -22.54 67.0 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.416 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.11 -49.28 11.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.833 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 40' ' ' GLU . . . . . 0.466 ' O ' HG23 ' C' ' 44' ' ' VAL . 28.1 mp0 -61.97 -40.51 95.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.539 179.671 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 41' ' ' LEU . . . . . 0.583 HD23 HD22 ' C' ' 57' ' ' LEU . 4.3 tp -70.53 -36.05 73.51 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.224 179.802 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.29 -40.8 97.92 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 -179.587 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 52.7 tttp -71.4 -39.23 71.27 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 121.214 0.53 . . . . 0.0 110.2 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 44' ' ' VAL . . . . . 0.466 HG23 ' O ' ' C' ' 40' ' ' GLU . 53.6 t -60.47 -39.52 81.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.651 179.665 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 9.2 mmt -51.69 -18.73 1.3 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.321 -178.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 24.6 mmt85 -61.47 -37.06 82.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.3 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 65.0 mtt -62.02 -40.07 94.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.132 -179.526 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 48' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' C' ' 48' ' ' LEU . 81.4 mt -66.99 -30.28 70.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.49 179.18 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 99.2 26.76 8.59 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 50' ' ' GLN . . . . . 0.41 ' NE2' HD11 ' I' ' 148' ' ' ILE . 9.9 pt20 -142.97 160.65 39.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.901 0.382 . . . . 0.0 110.659 -179.721 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -141.47 80.14 16.62 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.475 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -60.27 -157.86 0.02 OUTLIER 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.939 2.426 . . . . 0.0 111.906 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 16.6 p -114.23 150.3 43.47 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 115.439 -0.801 . . . . 0.0 111.53 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -62.24 -28.19 78.94 Favored 'Trans proline' 0 N--CA 1.495 1.588 0 C-N-CA 122.029 1.82 . . . . 0.0 112.864 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 55' ' ' GLU . . . . . 0.473 ' CG ' ' N ' ' C' ' 56' ' ' GLU . 8.0 pt-20 -63.19 -49.28 74.85 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.014 0.435 . . . . 0.0 111.98 -179.074 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 56' ' ' GLU . . . . . 0.473 ' N ' ' CG ' ' C' ' 55' ' ' GLU . 11.7 pt-20 -71.54 -31.27 66.83 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.357 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 57' ' ' LEU . . . . . 0.583 HD22 HD23 ' C' ' 41' ' ' LEU . 79.0 mt -62.36 -40.83 97.72 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.19 0.519 . . . . 0.0 110.128 179.174 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -67.9 -39.55 83.58 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.823 179.415 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -59.58 -42.95 93.65 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.321 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 75.5 mtm -64.02 -41.27 97.51 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.612 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 61' ' ' ILE . . . . . 0.447 HG21 ' C ' ' C' ' 70' ' ' GLY . 87.0 mt -61.84 -43.52 97.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 CA-C-O 121.175 0.512 . . . . 0.0 110.293 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -61.0 -38.41 85.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.636 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -60.81 -45.96 92.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.649 -0.251 . . . . 0.0 111.195 -179.419 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 10.7 p -81.82 -31.88 11.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 120.629 -0.429 . . . . 0.0 111.165 -179.528 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 65' ' ' ASP . . . . . 0.419 ' OD2' HG22 ' C' ' 61' ' ' ILE . 77.6 m-20 -70.24 126.31 29.28 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.569 -0.453 . . . . 0.0 110.562 -179.78 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 66' ' ' GLU . . . . . 0.456 ' N ' ' OE1' ' C' ' 66' ' ' GLU . 59.9 mp0 -86.58 -16.15 37.69 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.405 179.119 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 58.3 p30 -104.35 -10.89 17.46 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.974 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 67.07 22.6 72.53 Favored Glycine 0 CA--C 1.52 0.394 0 N-CA-C 110.557 -1.017 . . . . 0.0 110.557 179.466 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 96.4 p -59.64 -28.2 67.03 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.998 -179.289 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 70' ' ' GLY . . . . . 0.447 ' C ' HG21 ' C' ' 61' ' ' ILE . . . 93.23 -1.58 70.16 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 68.2 p -132.81 163.85 28.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.728 0.299 . . . . 0.0 110.72 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 95.8 t -117.2 126.12 74.34 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.479 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -94.37 177.19 6.03 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.727 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -58.71 -49.29 78.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.214 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 75' ' ' ASP . . . . . 0.643 ' O ' HG23 ' C' ' 79' ' ' VAL . 98.3 m-20 -61.93 -44.09 97.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.881 0.372 . . . . 0.0 110.146 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -65.2 -40.22 93.9 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.091 0.472 . . . . 0.0 110.132 178.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -59.63 -47.15 86.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.354 178.545 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 6.8 tp -63.4 -39.53 94.76 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.311 -0.556 . . . . 0.0 110.001 -179.672 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 79' ' ' VAL . . . . . 0.729 HG13 ' OH ' ' C' ' 5' ' ' TYR . 73.3 t -63.33 -44.12 98.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.44 -179.337 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 1.9 ptt? -68.66 -30.99 69.8 Favored 'General case' 0 CA--C 1.519 -0.217 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 -178.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.67 -47.66 62.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.04 -179.605 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 70.4 t -63.6 -45.06 98.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.549 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 83' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' C' ' 87' ' ' ASP . 20.9 mtt180 -61.9 -44.54 96.59 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.765 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 84' ' ' CYS . . . . . . . . . . . . . 98.1 m -65.45 -40.1 92.82 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.659 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 85' ' ' MET . . . . . 0.433 ' C ' ' SD ' ' C' ' 85' ' ' MET . 0.7 OUTLIER -62.9 -44.07 97.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.688 -179.098 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -85.75 -51.13 6.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.669 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 87' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' C' ' 83' ' ' ARG . 54.4 t0 47.74 50.65 15.11 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.438 179.476 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -124.3 73.85 1.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.528 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 60.5 p . . . . . 0 C--O 1.22 -0.5 0 CA-C-O 117.963 -1.018 . . . . 0.0 110.516 179.762 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' I' I ' 144' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' I' I ' 145' ' ' ARG . . . . . . . . . . . . . 82.4 mtt85 -83.18 -84.9 0.12 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.634 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 146' ' ' VAL . . . . . . . . . . . . . 55.4 t -62.79 -44.58 99.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.734 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 147' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -83.73 126.0 32.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.553 -179.499 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' I' I ' 148' ' ' ILE . . . . . 0.431 ' O ' ' OG ' ' I' ' 149' ' ' SER . 3.1 tp -68.22 -29.36 44.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.504 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' I' I ' 149' ' ' SER . . . . . 0.431 ' OG ' ' O ' ' I' ' 148' ' ' ILE . 2.2 p 74.13 122.52 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.202 -179.666 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' I' I ' 150' ' ' ALA . . . . . . . . . . . . . . . -61.05 -20.83 63.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.345 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 151' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -58.8 -41.97 87.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.577 -179.301 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . -61.98 -44.25 97.13 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.507 179.698 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 153' ' ' MET . . . . . 0.466 ' O ' HD12 ' I' ' 157' ' ' LEU . 58.2 ttm -70.1 -40.57 74.87 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 121.281 0.562 . . . . 0.0 110.568 179.701 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' I' I ' 154' ' ' MET . . . . . 0.45 ' O ' ' O ' ' I' ' 157' ' ' LEU . 2.0 mtt -60.7 -23.43 64.87 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.224 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 10.9 tp-100 -61.69 -42.02 98.36 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.065 -179.245 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . -69.52 -41.4 76.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.148 179.554 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 157' ' ' LEU . . . . . 0.558 ' H ' HD12 ' I' ' 157' ' ' LEU . 0.0 OUTLIER -138.9 150.74 46.28 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.403 -178.587 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' I' I ' 158' ' ' LEU . . . . . 0.433 HD11 ' HB3' ' C' ' 19' ' ' GLU . 4.8 mp 58.23 89.76 0.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.062 -179.571 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' I' I ' 159' ' ' GLY . . . . . . . . . . . . . . . -60.4 152.28 38.06 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 -179.413 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 160' ' ' ALA . . . . . 0.714 ' H ' ' CD2' ' I' ' 162' ' ' HIS . . . -147.24 70.31 1.18 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.761 0.315 . . . . 0.0 110.781 -179.691 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' I' I ' 161' ' ' ARG . . . . . . . . . . . . . 31.1 ttm180 59.91 54.21 4.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.843 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 162' ' ' HIS . . . . . 0.714 ' CD2' ' H ' ' I' ' 160' ' ' ALA . 26.9 p80 -162.22 172.04 16.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.459 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' I' I ' 163' ' ' LYS . . . . . 0.484 ' O ' ' ND1' ' I' ' 162' ' ' HIS . 37.8 mttp -40.68 149.1 0.08 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.586 179.336 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' I' I ' 164' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 58.34 40.77 24.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.171 -179.678 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 165' ' ' SER . . . . . 0.59 ' HB3' HD23 ' I' ' 168' ' ' LEU . 70.0 m -61.4 138.92 58.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.451 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' I' I ' 166' ' ' LEU . . . . . . . . . . . . . 67.9 mt -112.48 102.77 10.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.542 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 167' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 41.68 71.28 0.22 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.602 179.409 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 168' ' ' LEU . . . . . 0.59 HD23 ' HB3' ' I' ' 165' ' ' SER . 0.7 OUTLIER -78.58 -4.82 50.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.699 -179.712 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' I' I ' 169' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -84.33 92.46 8.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.921 0.391 . . . . 0.0 110.617 179.682 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 170' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 118.003 -0.999 . . . . 0.0 110.509 179.913 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.28 0 CA-C-O 120.502 0.191 . . . . 0.0 110.55 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.48 -41.93 92.75 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.501 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 55.8 t -69.26 -43.29 81.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.674 179.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -62.22 -40.71 97.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.288 -179.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -64.42 -37.77 88.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.299 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . 0.546 ' O ' ' NZ ' ' C' ' 17' ' ' LYS . 0.9 OUTLIER -47.87 143.88 3.84 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.661 -179.606 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 71.1 p -78.63 162.86 25.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.539 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 14' ' ' GLU . . . . . 0.427 ' O ' ' OD1' ' C' ' 18' ' ' ASN . 96.9 mt-10 -63.02 -37.35 86.82 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.565 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -66.21 -42.88 88.14 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.785 -179.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 16' ' ' GLN . . . . . 0.454 ' O ' ' CD2' ' C' ' 20' ' ' PHE . 58.6 mt-30 -61.36 -41.67 97.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.898 179.458 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 17' ' ' LYS . . . . . 0.546 ' NZ ' ' O ' ' C' ' 12' ' ' LEU . 51.2 mttp -65.21 -39.55 92.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.829 179.3 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 18' ' ' ASN . . . . . 0.427 ' OD1' ' O ' ' C' ' 14' ' ' GLU . 27.2 m120 -62.43 -39.36 93.08 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.978 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.03 -45.77 92.12 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.747 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . 0.454 ' CD2' ' O ' ' C' ' 16' ' ' GLN . 47.7 m-85 -69.59 -38.93 77.53 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.619 179.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -60.22 -40.24 89.49 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.148 179.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.26 -42.25 98.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.3 179.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.45 -38.2 88.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.398 178.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -57.92 -47.66 82.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.405 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -59.46 -39.79 84.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.29 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 93.6 mt -68.33 -39.74 81.42 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.241 0 CA-C-O 121.199 0.523 . . . . 0.0 110.597 179.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 27' ' ' PHE . . . . . 0.452 ' CE1' HG21 ' C' ' 44' ' ' VAL . 2.6 m-85 -57.96 -41.35 82.68 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.238 -178.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 27.0 m -78.23 20.38 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.928 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 29' ' ' LEU . . . . . 0.681 HD12 ' N ' ' C' ' 30' ' ' GLY . 3.6 pp -59.68 -10.41 3.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.515 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 30' ' ' GLY . . . . . 0.681 ' N ' HD12 ' C' ' 29' ' ' LEU . . . -119.46 8.61 12.03 Favored Glycine 0 CA--C 1.519 0.321 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 -179.122 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 31' ' ' ALA . . . . . 0.409 ' CB ' ' O ' ' C' ' 35' ' ' CYS . . . -126.04 125.35 42.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.823 0.344 . . . . 0.0 110.641 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -81.49 -31.06 33.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.893 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -72.13 -15.58 61.98 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.526 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 89.23 10.54 65.89 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 35' ' ' CYS . . . . . 0.409 ' O ' ' CB ' ' C' ' 31' ' ' ALA . 75.3 m -101.59 150.93 22.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.793 0.33 . . . . 0.0 110.465 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 84.3 mt -102.6 121.34 53.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.118 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 49.6 m -122.16 -168.63 1.75 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.581 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 73.1 p -64.43 -31.37 72.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.349 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 63.6 mmtt -62.45 -45.15 94.37 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.781 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 46.7 mp0 -64.88 -42.78 94.52 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.728 179.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 10.9 tp -68.07 -35.97 79.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.192 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.53 -40.99 98.55 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.786 -0.926 . . . . 0.0 110.786 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -66.52 -40.2 89.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.866 0.365 . . . . 0.0 110.595 179.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 44' ' ' VAL . . . . . 0.452 HG21 ' CE1' ' C' ' 27' ' ' PHE . 74.7 t -63.29 -47.16 93.41 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.518 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 27.3 mtt -63.24 -38.78 92.5 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.864 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -57.57 -43.72 84.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.368 -179.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 51.3 ttm -62.82 -39.12 93.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.065 0.46 . . . . 0.0 110.579 178.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 95.6 mt -65.57 -18.92 65.68 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.572 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.41 8.32 41.05 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -104.8 131.98 51.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.839 0.352 . . . . 0.0 110.466 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 51' ' ' ASN . . . . . 0.44 ' N ' ' OD1' ' C' ' 51' ' ' ASN . 21.3 p-10 -136.22 64.68 54.83 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.807 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -72.36 -167.38 0.32 Allowed 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 123.011 2.474 . . . . 0.0 112.02 179.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 2.2 p -90.26 151.51 44.73 Favored Pre-proline 0 C--O 1.242 0.658 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.091 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -61.84 -30.36 84.13 Favored 'Trans proline' 0 C--N 1.308 -1.591 0 C-N-CA 122.463 2.109 . . . . 0.0 112.217 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -62.56 -36.25 82.06 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.13 -0.487 . . . . 0.0 109.85 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -68.71 -40.78 79.79 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.201 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 8.9 mp -60.37 -40.96 92.66 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.842 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 58' ' ' GLN . . . . . 0.535 ' NE2' ' OD2' ' C' ' 62' ' ' ASP . 25.8 tm0? -66.2 -42.12 89.23 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 -64.37 -39.21 93.43 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.129 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -60.06 -44.95 94.37 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.987 0.422 . . . . 0.0 110.499 -179.437 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 61' ' ' ILE . . . . . 0.424 ' O ' ' N ' ' C' ' 65' ' ' ASP . 87.4 mt -60.48 -41.45 87.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.211 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 62' ' ' ASP . . . . . 0.535 ' OD2' ' NE2' ' C' ' 58' ' ' GLN . 95.4 m-20 -59.69 -39.01 83.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.606 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -61.91 -41.43 97.91 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.394 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 53.8 t -85.43 -32.06 7.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 65' ' ' ASP . . . . . 0.506 ' OD2' ' N ' ' C' ' 69' ' ' SER . 47.7 t0 -83.81 116.51 22.75 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.547 -179.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -72.01 -34.69 69.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.51 -179.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 67' ' ' ASP . . . . . 0.401 ' OD1' ' OD1' ' C' ' 65' ' ' ASP . 0.6 OUTLIER -81.66 -14.83 56.15 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.041 -179.777 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 65.67 20.03 67.74 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.5 -1.04 . . . . 0.0 110.5 179.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 69' ' ' SER . . . . . 0.506 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 84.5 p -60.6 -21.59 62.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.792 0.329 . . . . 0.0 110.72 -179.179 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 86.77 5.24 81.65 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 69.4 p -128.94 152.76 48.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.721 0.296 . . . . 0.0 110.494 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 94.1 t -119.31 124.48 73.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.672 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -103.01 -177.36 3.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.746 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -58.89 -48.16 82.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.706 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -60.32 -46.24 90.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.617 -179.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -65.89 -40.15 91.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.929 0.395 . . . . 0.0 110.597 178.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -60.16 -46.02 91.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.352 178.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 62.3 tp -60.12 -44.65 94.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.466 -179.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 57.5 t -63.05 -42.6 97.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.895 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 43.3 ttp -63.6 -39.03 93.32 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.167 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 81' ' ' MET . . . . . 0.457 ' C ' ' SD ' ' C' ' 81' ' ' MET . 0.0 OUTLIER -63.84 -47.46 80.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.695 -179.113 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 75.8 t -66.68 -42.0 88.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.58 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 77.1 ttt-85 -60.85 -44.45 96.97 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.709 -178.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 84' ' ' CYS . . . . . . . . . . . . . 92.0 m -62.8 -41.71 99.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.803 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 8.0 tpt -66.49 -44.62 82.12 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.604 -179.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 62.3 tttp . . . . . 0 N--CA 1.451 -0.383 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.752 179.506 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.899 0.381 . . . . 0.0 110.559 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 26.5 ttm -63.48 -43.33 97.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.851 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 154' ' ' MET . . . . . 0.405 ' N ' ' SD ' ' I' ' 154' ' ' MET . 0.0 OUTLIER -59.09 -37.86 78.14 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.388 -179.347 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 -72.23 -34.37 68.26 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.851 0.358 . . . . 0.0 110.81 179.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.449 -179.8 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.2 0 CA-C-O 120.835 0.35 . . . . 0.0 110.431 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.83 -42.21 97.69 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.549 -179.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 57.6 t -62.2 -47.38 93.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.643 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -67.21 -40.7 86.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.743 179.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.35 -38.9 91.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.944 -179.493 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 1.2 mp -50.21 137.17 18.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.921 0.391 . . . . 0.0 110.992 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 72.1 p -77.07 165.78 24.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.522 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -61.04 -37.34 82.25 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.949 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -65.36 -41.14 94.14 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.801 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -63.58 -40.87 98.05 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.048 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 7.0 mtpt -66.19 -38.63 88.46 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.177 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -61.18 -43.02 99.54 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 119.913 -0.715 . . . . 0.0 110.369 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -63.32 -40.01 96.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.59 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . 0.473 ' CD1' ' C ' ' C' ' 20' ' ' PHE . 0.0 OUTLIER -61.16 -43.87 98.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.522 179.51 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -59.44 -40.97 88.52 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.731 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.55 -42.24 99.41 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.462 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.87 -41.33 99.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.744 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 24' ' ' PHE . . . . . 0.637 ' CD2' ' CE1' ' C' ' 74' ' ' PHE . 55.1 t80 -60.35 -43.35 96.59 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.322 -179.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -59.19 -41.14 87.81 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.058 0.456 . . . . 0.0 110.366 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 97.0 mt -68.86 -41.78 82.29 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 CA-C-O 121.044 0.45 . . . . 0.0 110.675 179.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -56.47 -40.05 74.21 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.957 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 33.5 m -83.28 26.09 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 120.919 -0.313 . . . . 0.0 110.878 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 1.5 pp -45.0 -31.98 1.49 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.048 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . -118.54 23.98 8.75 Favored Glycine 0 CA--C 1.529 0.928 0 N-CA-C 111.799 -0.52 . . . . 0.0 111.799 -179.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 31' ' ' ALA . . . . . 0.508 ' N ' ' OE2' ' C' ' 40' ' ' GLU . . . -135.89 94.25 3.04 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.158 0.504 . . . . 0.0 110.628 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -73.1 -11.11 60.43 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.173 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -83.56 -11.45 57.35 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.437 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 81.96 22.43 59.46 Favored Glycine 0 CA--C 1.522 0.489 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 35' ' ' CYS . . . . . . . . . . . . . 75.2 m -123.63 142.49 51.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.888 0.375 . . . . 0.0 110.836 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 3.4 mt -107.2 124.38 63.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.2 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 37' ' ' SER . . . . . 0.44 ' OG ' ' N ' ' C' ' 38' ' ' THR . 41.4 t -123.32 -166.17 1.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.337 -179.668 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 38' ' ' THR . . . . . 0.44 ' N ' ' OG ' ' C' ' 37' ' ' SER . 70.6 p -66.14 -29.73 70.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.719 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 39' ' ' LYS . . . . . 0.574 ' NZ ' ' CB ' ' C' ' 39' ' ' LYS . 0.0 OUTLIER -61.71 -50.74 71.23 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.656 -0.418 . . . . 0.0 110.814 -179.595 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 40' ' ' GLU . . . . . 0.508 ' OE2' ' N ' ' C' ' 31' ' ' ALA . 49.3 mt-10 -70.33 -39.3 74.81 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 120.335 -0.546 . . . . 0.0 111.12 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 1.5 tp -65.53 -39.56 91.93 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -179.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.77 -38.66 96.3 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.27 -42.32 93.31 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.085 0.469 . . . . 0.0 110.593 -179.368 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 65.2 t -63.37 -41.28 92.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.208 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 22.1 mmt -60.57 -40.52 91.96 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.67 -179.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 61.0 mtm180 -62.52 -39.19 92.78 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.143 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 7.7 mmm -62.4 -38.7 90.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.123 0.487 . . . . 0.0 110.27 179.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 93.9 mt -68.39 -16.68 64.01 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.608 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 101.19 9.21 45.49 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -109.98 141.43 42.77 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.754 0.311 . . . . 0.0 110.2 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -139.9 73.43 33.47 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.702 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -77.63 -171.07 1.08 Allowed 'Trans proline' 0 C--N 1.307 -1.635 0 C-N-CA 122.786 2.324 . . . . 0.0 112.166 -179.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 7.9 p -92.18 154.51 43.15 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.46 -179.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_exo -52.15 -38.26 70.81 Favored 'Trans proline' 0 N--CA 1.497 1.721 0 C-N-CA 121.801 1.667 . . . . 0.0 112.489 179.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -61.82 -37.04 82.92 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.075 0.464 . . . . 0.0 111.27 -178.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -66.72 -40.95 88.62 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.053 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 82.4 mt -62.72 -40.92 98.69 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.395 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 71.6 tp60 -66.41 -41.4 89.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.148 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -63.79 -40.01 95.62 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.791 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 8.4 mmt -60.15 -43.59 95.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.425 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 61' ' ' ILE . . . . . 0.432 HG21 ' C ' ' C' ' 70' ' ' GLY . 96.7 mt -67.85 -39.47 81.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.012 179.365 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -58.92 -39.45 81.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.573 -179.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -61.21 -38.78 87.79 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.535 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 46.5 t -89.97 -31.23 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.256 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 65' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' C' ' 61' ' ' ILE . 66.4 t0 -79.88 116.38 20.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.11 -178.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -76.51 -38.17 55.59 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.953 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 67' ' ' ASP . . . . . 0.41 ' OD2' ' OG ' ' C' ' 69' ' ' SER . 0.5 OUTLIER -76.53 -12.89 60.1 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.0 -179.432 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.71 14.27 67.2 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.536 -1.025 . . . . 0.0 110.536 179.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 69' ' ' SER . . . . . 0.41 ' OG ' ' OD2' ' C' ' 67' ' ' ASP . 98.1 p -62.16 -22.87 66.22 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 121.084 -0.247 . . . . 0.0 110.805 -179.346 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 70' ' ' GLY . . . . . 0.432 ' C ' HG21 ' C' ' 61' ' ' ILE . . . 88.18 6.13 75.36 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 58.7 p -133.83 159.26 41.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.514 0.197 . . . . 0.0 110.532 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 47.1 t -117.1 124.31 72.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 56.1 p30 -94.53 -169.97 2.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.043 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 74' ' ' PHE . . . . . 0.637 ' CE1' ' CD2' ' C' ' 24' ' ' PHE . 5.9 m-85 -60.87 -50.75 72.15 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 75' ' ' ASP . . . . . 0.406 ' O ' HG23 ' C' ' 79' ' ' VAL . 97.6 m-20 -63.02 -44.65 95.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.215 -179.218 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -65.27 -41.65 93.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.307 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -61.95 -46.04 91.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.415 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 47.7 tp -60.87 -41.48 96.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.97 -178.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 79' ' ' VAL . . . . . 0.406 HG23 ' O ' ' C' ' 75' ' ' ASP . 54.5 t -62.24 -40.27 87.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.329 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 64.8 ttp -63.52 -39.33 94.15 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.078 -179.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 23.2 ttt -61.85 -46.11 90.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.491 -179.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 66.5 t -65.41 -40.99 90.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.698 179.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 3.5 ttp85 -56.67 -43.41 80.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.367 -178.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 84' ' ' CYS . . . . . . . . . . . . . 54.1 t -61.5 -45.7 93.1 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.287 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 18.9 mmt -61.41 -28.96 69.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.443 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 67.3 mmtt . . . . . 0 C--N 1.326 -0.416 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.56 -179.614 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.798 0.333 . . . . 0.0 110.528 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 50.6 ttm -61.87 -46.35 89.81 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.589 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 154' ' ' MET . . . . . . . . . . . . . 10.5 mmt -62.7 -39.91 95.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.696 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -60.95 -43.9 98.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.645 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.338 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.802 -179.999 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.187 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.99 -41.89 99.7 Favored 'General case' 0 C--N 1.333 -0.152 0 C-N-CA 120.307 -0.557 . . . . 0.0 110.068 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 53.0 t -61.71 -46.85 95.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.124 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -70.45 -38.45 74.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.765 179.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -70.72 -19.54 62.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.081 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' C' ' 12' ' ' LEU . 2.5 tp -54.24 148.45 11.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.924 0.392 . . . . 0.0 110.462 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 68.9 p -76.97 161.88 28.02 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.64 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -64.57 -39.41 93.69 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.354 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -62.82 -44.08 97.11 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.748 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -63.05 -40.71 98.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.153 0.502 . . . . 0.0 109.804 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 14.5 mmmt -63.11 -40.74 98.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.457 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -65.83 -39.77 91.14 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.443 -0.503 . . . . 0.0 111.264 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -62.1 -40.74 96.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.982 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -74.63 -38.61 62.47 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.096 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 24.4 ttpp -58.93 -41.41 87.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.299 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.2 -41.75 97.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.891 0.377 . . . . 0.0 110.222 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.62 -40.0 95.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.46 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 24' ' ' PHE . . . . . 0.565 ' O ' HG22 ' C' ' 28' ' ' VAL . 84.4 t80 -58.66 -45.83 88.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.098 -179.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -59.3 -44.02 92.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.069 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 87.0 mt -65.57 -42.94 94.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.906 179.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 27' ' ' PHE . . . . . 0.791 ' CE1' HG21 ' C' ' 44' ' ' VAL . 1.9 m-85 -59.44 -39.65 84.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.032 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . 0.644 ' O ' ' N ' ' C' ' 30' ' ' GLY . 22.1 m -94.42 34.44 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.431 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -38.32 80.28 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.89 0.744 . . . . 0.0 111.622 -179.543 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 30' ' ' GLY . . . . . 0.644 ' N ' ' O ' ' C' ' 28' ' ' VAL . . . 64.72 31.02 79.53 Favored Glycine 0 CA--C 1.528 0.853 0 N-CA-C 110.665 -0.974 . . . . 0.0 110.665 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.55 132.68 13.68 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.296 -179.301 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -62.81 -42.85 99.89 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.633 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 56.8 p-10 -85.19 -12.72 52.01 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.965 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 79.92 11.09 84.93 Favored Glycine 0 CA--C 1.52 0.379 0 N-CA-C 110.687 -0.965 . . . . 0.0 110.687 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 35' ' ' CYS . . . . . . . . . . . . . 78.4 m -133.52 164.28 27.52 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.356 -0.422 . . . . 0.0 110.776 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 80.5 mt -90.8 119.87 38.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 96.6 p -123.96 -169.2 1.91 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.915 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 73.9 p -62.39 -31.94 72.69 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.354 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -65.55 -46.49 79.29 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 121.188 0.518 . . . . 0.0 110.689 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -65.34 -39.79 92.83 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.396 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 1.4 mp -60.48 -40.31 90.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.201 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.04 -39.25 95.47 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.77 -49.81 69.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.312 0.577 . . . . 0.0 110.317 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 44' ' ' VAL . . . . . 0.791 HG21 ' CE1' ' C' ' 27' ' ' PHE . 77.3 t -62.37 -45.25 99.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.907 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 22.0 mmt -60.91 -36.98 80.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.624 -179.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 15.9 ttp85 -53.1 -37.14 61.47 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.126 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 97.7 mtp -63.71 -39.75 95.07 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.228 0.537 . . . . 0.0 110.304 179.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 97.2 mt -68.45 -21.77 64.62 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.563 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 98.93 13.03 41.29 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 89.4 mm-40 -109.34 137.4 47.26 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.064 0.459 . . . . 0.0 111.246 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 41.4 t-20 -139.17 73.75 37.25 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.408 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -77.5 -176.04 3.0 Favored 'Trans proline' 0 C--N 1.308 -1.58 0 C-N-CA 122.535 2.157 . . . . 0.0 111.924 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 74.4 p -79.69 149.41 71.12 Favored Pre-proline 0 CA--C 1.539 0.555 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.471 -179.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -65.66 -32.71 47.07 Favored 'Trans proline' 0 N--CA 1.495 1.587 0 C-N-CA 121.82 1.68 . . . . 0.0 112.196 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 55' ' ' GLU . . . . . 0.459 ' CG ' ' N ' ' C' ' 56' ' ' GLU . 21.5 pt-20 -65.65 -42.84 90.95 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.207 -179.098 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . 0.459 ' N ' ' CG ' ' C' ' 55' ' ' GLU . 1.3 pp20? -73.6 -30.23 62.87 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.149 -0.62 . . . . 0.0 109.387 -179.111 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 65.6 mt -62.62 -39.8 94.93 Favored 'General case' 0 CA--C 1.515 -0.392 0 C-N-CA 120.403 -0.519 . . . . 0.0 109.822 178.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -68.05 -39.51 83.02 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 119.755 -0.778 . . . . 0.0 109.858 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.01 -40.61 96.28 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.535 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 89.3 mtp -61.03 -43.27 99.13 Favored 'General case' 0 CA--C 1.516 -0.329 0 C-N-CA 119.915 -0.714 . . . . 0.0 110.474 178.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 61' ' ' ILE . . . . . 0.442 HG21 ' C ' ' C' ' 70' ' ' GLY . 95.2 mt -64.18 -43.2 97.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 120.33 -0.548 . . . . 0.0 110.397 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.22 -41.92 94.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.04 -179.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.1 -41.8 97.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.869 0.366 . . . . 0.0 110.812 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 86.5 t -80.07 -32.27 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.731 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 65' ' ' ASP . . . . . 0.503 ' OD2' ' N ' ' C' ' 69' ' ' SER . 68.0 t0 -77.5 115.44 17.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.596 -179.258 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -62.17 -39.92 94.28 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.842 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 67' ' ' ASP . . . . . 0.409 ' OD1' ' OD1' ' C' ' 65' ' ' ASP . 0.1 OUTLIER -83.76 -11.95 56.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.699 -179.638 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 66.52 23.03 71.87 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.575 -1.01 . . . . 0.0 110.575 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 69' ' ' SER . . . . . 0.503 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 65.2 m -57.9 -29.75 65.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.591 0.234 . . . . 0.0 110.756 -178.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 70' ' ' GLY . . . . . 0.442 ' C ' HG21 ' C' ' 61' ' ' ILE . . . 95.84 -4.72 66.03 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 -179.518 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 14.0 p -133.65 163.09 30.21 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 2.0 t -110.49 123.98 66.86 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 CA-C-O 121.151 0.5 . . . . 0.0 110.192 179.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 73' ' ' ASP . . . . . 0.444 ' H ' ' HB2' ' C' ' 76' ' ' GLU . 98.6 m-20 -93.87 178.92 5.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.298 -0.864 . . . . 0.0 109.949 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -59.93 -49.52 77.36 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.749 -178.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -66.98 -40.31 87.39 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.952 0.406 . . . . 0.0 110.914 179.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . 0.444 ' HB2' ' H ' ' C' ' 73' ' ' ASP . 99.1 mt-10 -63.77 -39.55 94.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.28 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -61.48 -42.3 98.58 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 179.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 13.1 mt -58.15 -44.23 87.78 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.057 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 59.3 t -63.92 -43.97 97.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 C-N-CA 120.729 -0.389 . . . . 0.0 111.207 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 14.6 tmm? -65.11 -37.7 88.31 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.042 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 81' ' ' MET . . . . . 0.472 ' O ' ' SD ' ' C' ' 81' ' ' MET . 0.0 OUTLIER -60.47 -49.15 78.72 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.605 -178.928 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 60.5 t -65.19 -41.55 91.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.969 0.414 . . . . 0.0 110.38 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -59.92 -42.58 94.21 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.556 -179.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 84' ' ' CYS . . . . . . . . . . . . . 50.5 t -61.28 -43.44 98.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.88 0.371 . . . . 0.0 110.219 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 21.8 mmm -57.83 -43.02 85.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.818 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 29.6 mmtm . . . . . 0 C--N 1.33 -0.269 0 CA-C-O 120.771 0.319 . . . . 0.0 110.746 179.782 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.111 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 18.2 tpt -59.24 -47.33 85.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.457 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 154' ' ' MET . . . . . . . . . . . . . 22.5 mmt -63.5 -41.33 98.54 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.771 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -63.55 -42.9 98.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.592 -179.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.187 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.721 179.509 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.42 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.21 -43.17 99.31 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.015 -0.674 . . . . 0.0 110.033 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 54.6 t -62.57 -47.42 93.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.093 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -64.82 -40.06 94.58 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.834 0.35 . . . . 0.0 110.543 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -62.94 -37.07 85.56 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.904 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 2.0 mp -59.09 134.19 56.76 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-O 120.968 0.413 . . . . 0.0 110.732 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 63.8 p -78.92 166.49 22.32 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.61 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -62.37 -34.69 77.19 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.194 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -66.09 -42.14 89.69 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.656 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 -64.86 -40.94 95.93 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.353 -0.539 . . . . 0.0 109.698 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 23.4 mmtp -62.42 -40.31 96.11 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.735 179.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 40.0 t-20 -63.24 -42.54 99.21 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 119.747 -0.781 . . . . 0.0 110.77 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 -63.35 -38.91 92.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.84 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . 0.6 ' CE2' ' SD ' ' C' ' 81' ' ' MET . 3.8 m-85 -60.67 -43.9 97.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.145 0.498 . . . . 0.0 110.578 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 16.7 mtpt -62.78 -38.76 91.89 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.283 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.89 -43.42 94.79 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.306 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.2 -42.34 99.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.941 0.401 . . . . 0.0 110.197 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -61.92 -44.31 97.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.464 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 25' ' ' ASP . . . . . 0.415 ' O ' HG22 ' C' ' 28' ' ' VAL . 98.3 m-20 -59.93 -41.31 91.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.363 -179.611 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 96.8 mt -70.88 -41.22 77.2 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.659 0 CA-C-O 121.183 0.516 . . . . 0.0 110.249 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 27' ' ' PHE . . . . . 0.555 ' CZ ' HG21 ' C' ' 44' ' ' VAL . 0.4 OUTLIER -54.28 -37.41 64.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.185 -179.357 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . 0.415 HG22 ' O ' ' C' ' 25' ' ' ASP . 26.7 m -79.85 17.17 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.094 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 29' ' ' LEU . . . . . 0.66 HD12 ' N ' ' C' ' 30' ' ' GLY . 3.3 pp -55.38 -9.03 0.4 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.39 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 30' ' ' GLY . . . . . 0.66 ' N ' HD12 ' C' ' 29' ' ' LEU . . . -130.98 16.57 5.26 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -130.33 116.91 18.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.908 0.385 . . . . 0.0 111.532 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 32' ' ' GLU . . . . . 0.404 ' OE1' ' N ' ' C' ' 32' ' ' GLU . 18.4 pm0 -75.34 -25.1 57.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.399 179.344 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -87.8 -10.23 51.54 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.642 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.54 14.75 72.78 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 35' ' ' CYS . . . . . . . . . . . . . 81.6 m -105.94 142.61 35.35 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.525 0.202 . . . . 0.0 110.64 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . 0.409 ' C ' ' HG1' ' C' ' 71' ' ' THR . 31.9 mm -103.76 117.83 49.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 15.5 m -114.05 -166.13 1.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.542 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 74.8 p -63.36 -33.67 76.03 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.167 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt -61.79 -45.0 95.75 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.739 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 58.3 mp0 -69.31 -41.37 76.84 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.26 0.552 . . . . 0.0 110.672 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 41' ' ' LEU . . . . . 0.445 HD12 HD11 ' C' ' 61' ' ' ILE . 20.6 mt -62.75 -30.83 71.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.823 178.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.41 -38.0 92.83 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -70.86 -41.98 70.69 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 121.315 0.579 . . . . 0.0 109.817 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 44' ' ' VAL . . . . . 0.555 HG21 ' CZ ' ' C' ' 27' ' ' PHE . 77.2 t -61.81 -43.63 97.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.3 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 21.7 mmt -61.2 -40.39 93.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.841 -179.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 29.1 mtp-105 -61.7 -39.04 90.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.446 179.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 96.7 mmm -61.82 -38.0 86.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.141 0.496 . . . . 0.0 109.926 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 96.6 mt -76.99 -2.55 34.42 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.024 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 82.6 19.1 64.56 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 111.314 -0.714 . . . . 0.0 111.314 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 29.1 mm100 -111.93 145.12 40.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.895 0.379 . . . . 0.0 110.408 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -132.05 73.1 78.54 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.443 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -76.67 -168.07 0.53 Allowed 'Trans proline' 0 C--N 1.308 -1.591 0 C-N-CA 122.678 2.252 . . . . 0.0 111.356 179.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 3.0 p -123.45 157.07 62.97 Favored Pre-proline 0 CA--C 1.537 0.447 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.058 -179.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -51.24 -36.57 57.01 Favored 'Trans proline' 0 N--CA 1.499 1.845 0 C-N-CA 121.906 1.737 . . . . 0.0 112.372 179.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.15 -53.37 59.06 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 112.902 0.705 . . . . 0.0 112.902 -178.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -71.41 -30.71 66.41 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.024 -0.67 . . . . 0.0 110.058 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 82.9 mt -64.27 -39.64 94.35 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.091 178.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 24.2 tm0? -64.05 -42.26 97.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.524 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -63.19 -40.6 97.96 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.298 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 66.7 mmm -60.3 -43.58 96.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.307 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 61' ' ' ILE . . . . . 0.445 HD11 HD12 ' C' ' 41' ' ' LEU . 97.0 mt -68.17 -40.53 82.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.566 179.345 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -57.72 -35.92 71.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.105 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -57.95 -42.17 84.4 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.733 -178.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 19.6 m -92.18 -27.24 4.76 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.534 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 65' ' ' ASP . . . . . 0.557 ' OD2' ' N ' ' C' ' 69' ' ' SER . 26.2 t0 -70.35 121.16 17.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.874 0.369 . . . . 0.0 110.839 -178.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -81.6 -41.77 21.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.088 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 67' ' ' ASP . . . . . 0.472 ' OD1' ' OD1' ' C' ' 65' ' ' ASP . 37.1 p-10 -93.04 3.25 56.06 Favored 'General case' 0 CA--C 1.52 -0.174 0 C-N-CA 120.471 -0.492 . . . . 0.0 111.807 -179.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 66.84 26.6 73.13 Favored Glycine 0 CA--C 1.52 0.378 0 N-CA-C 110.119 -1.192 . . . . 0.0 110.119 179.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 69' ' ' SER . . . . . 0.557 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 94.3 p -55.7 -23.36 28.3 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.464 -178.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 70' ' ' GLY . . . . . 0.403 ' N ' ' OD2' ' C' ' 65' ' ' ASP . . . 85.97 1.49 86.79 Favored Glycine 0 CA--C 1.518 0.281 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.278 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 71' ' ' THR . . . . . 0.409 ' HG1' ' C ' ' C' ' 36' ' ' ILE . 0.2 OUTLIER -146.57 163.93 34.22 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.131 0.491 . . . . 0.0 110.787 179.529 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 31.1 t -99.24 128.68 50.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.863 -179.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -94.22 175.53 6.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.419 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -58.01 -48.14 80.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.999 0.428 . . . . 0.0 110.732 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -62.31 -44.12 97.25 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.102 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -62.78 -39.16 93.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.724 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -58.06 -49.12 78.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.607 179.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 78' ' ' LEU . . . . . 0.473 ' O ' HG23 ' C' ' 82' ' ' VAL . 10.3 mt -61.47 -45.15 95.45 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.251 -0.579 . . . . 0.0 111.178 179.438 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 73.9 t -68.72 -41.06 82.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -179.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 15.2 tmm? -63.78 -42.38 97.78 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.19 0.519 . . . . 0.0 109.944 -179.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 81' ' ' MET . . . . . 0.6 ' SD ' ' CE2' ' C' ' 20' ' ' PHE . 44.0 ttm -67.41 -43.89 80.15 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.205 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 82' ' ' VAL . . . . . 0.473 HG23 ' O ' ' C' ' 78' ' ' LEU . 60.0 t -63.54 -43.04 98.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.057 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 40.3 ttt180 -60.39 -46.29 90.5 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 120.912 0.387 . . . . 0.0 110.249 -179.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 84' ' ' CYS . . . . . . . . . . . . . 89.7 m -66.98 -38.27 85.74 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.875 179.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 16.3 ttt -58.79 -40.5 84.2 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 -178.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 68.6 mttm . . . . . 0 C--N 1.332 -0.183 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.426 179.129 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.176 0 CA-C-O 120.751 0.31 . . . . 0.0 110.721 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 27.4 ttt -61.78 -46.54 89.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.708 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 154' ' ' MET . . . . . . . . . . . . . 20.8 mmt -64.14 -40.13 95.51 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.813 0.34 . . . . 0.0 110.892 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 13.5 tm0? -60.81 -45.84 92.84 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.965 179.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.368 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.823 179.864 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.515 -0.366 0 CA-C-O 120.948 0.404 . . . . 0.0 109.949 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.29 -41.97 99.02 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.236 -0.586 . . . . 0.0 110.473 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 67.9 t -62.61 -47.99 90.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.865 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -68.54 -36.62 79.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.759 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -63.19 -38.23 90.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.581 -179.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 16.4 mt -55.98 147.39 19.87 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 71.7 p -73.72 165.29 25.37 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.582 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 56.8 mp0 -62.94 -38.31 90.53 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.206 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -64.61 -41.32 96.28 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.589 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -62.72 -43.64 98.27 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.095 0.474 . . . . 0.0 110.347 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -66.82 -37.61 84.84 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.425 178.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -60.32 -44.29 95.59 Favored 'General case' 0 N--CA 1.442 -0.853 0 C-N-CA 119.957 -0.697 . . . . 0.0 110.748 -179.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -63.43 -38.93 93.03 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.688 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -61.77 -43.39 98.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.285 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -62.78 -39.27 93.68 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.419 179.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.26 -43.78 95.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.492 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.58 -41.36 98.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.974 0.416 . . . . 0.0 109.997 179.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 24' ' ' PHE . . . . . 0.561 ' CD2' ' CE1' ' C' ' 74' ' ' PHE . 74.7 t80 -61.73 -44.53 96.74 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.397 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -59.81 -40.85 89.78 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.557 -179.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 96.7 mt -71.04 -40.92 76.43 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 CA-C-O 120.988 0.423 . . . . 0.0 110.689 179.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 27' ' ' PHE . . . . . 0.43 ' HB3' HD11 ' C' ' 36' ' ' ILE . 0.9 OUTLIER -55.62 -38.5 69.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 35.9 m -80.82 23.58 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.952 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 1.7 pp -45.03 -39.72 5.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.009 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . -113.86 29.09 8.0 Favored Glycine 0 CA--C 1.531 1.04 0 C-N-CA 121.393 -0.432 . . . . 0.0 112.104 -179.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -130.83 95.86 3.94 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 117.229 0.515 . . . . 0.0 110.395 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -72.99 -14.5 61.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.058 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -73.23 -18.42 61.24 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.654 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.98 14.63 71.88 Favored Glycine 0 CA--C 1.523 0.589 0 C-N-CA 120.473 -0.87 . . . . 0.0 110.961 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 35' ' ' CYS . . . . . . . . . . . . . 21.5 p -128.47 168.32 15.81 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.755 0.312 . . . . 0.0 110.285 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . 0.43 HD11 ' HB3' ' C' ' 27' ' ' PHE . 6.2 mm -119.84 132.24 70.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 121.325 0.583 . . . . 0.0 111.032 -179.424 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 5.5 t -133.08 -165.28 1.59 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.347 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 73.2 p -64.07 -33.44 75.76 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 -179.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -61.53 -52.32 64.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.947 0.403 . . . . 0.0 110.813 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -63.59 -38.87 92.78 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.151 -0.62 . . . . 0.0 110.386 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.59 -39.52 93.99 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.509 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.58 -40.39 98.66 Favored Glycine 0 CA--C 1.525 0.683 0 C-N-CA 120.612 -0.804 . . . . 0.0 111.205 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -64.33 -40.49 95.99 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.272 0.558 . . . . 0.0 110.442 -179.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 77.0 t -67.23 -40.39 84.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.691 179.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 45' ' ' MET . . . . . 0.548 ' SD ' HD21 ' C' ' 57' ' ' LEU . 18.3 mtt -58.33 -31.14 67.28 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.856 -178.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -58.27 -37.69 75.48 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.102 -0.639 . . . . 0.0 109.657 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 28.0 ttt -67.14 -32.49 73.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.723 178.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 90.7 mt -80.74 -10.95 59.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.715 -179.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.64 30.31 40.35 Favored Glycine 0 CA--C 1.526 0.736 0 C-N-CA 120.768 -0.73 . . . . 0.0 111.444 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 76.2 mm-40 -124.63 143.87 50.48 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.93 0.395 . . . . 0.0 110.764 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -146.9 71.7 12.37 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.734 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -76.88 -167.94 0.52 Allowed 'Trans proline' 0 C--N 1.307 -1.619 0 C-N-CA 122.955 2.437 . . . . 0.0 112.002 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 1.2 p -94.9 155.74 38.82 Favored Pre-proline 0 C--N 1.323 -0.575 0 C-N-CA 120.349 -0.541 . . . . 0.0 111.443 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -55.13 -33.64 84.71 Favored 'Trans proline' 0 N--CA 1.498 1.778 0 C-N-CA 121.886 1.724 . . . . 0.0 112.399 179.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -63.12 -39.8 95.75 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 121.147 0.498 . . . . 0.0 110.514 -178.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -66.72 -41.23 88.27 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.156 -0.929 . . . . 0.0 109.65 -179.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 57' ' ' LEU . . . . . 0.548 HD21 ' SD ' ' C' ' 45' ' ' MET . 84.1 mt -64.02 -40.22 95.84 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.953 -1.022 . . . . 0.0 110.7 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -65.82 -42.5 90.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.037 -179.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -65.47 -38.93 91.24 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.023 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 4.9 mmm -58.17 -46.66 85.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.471 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.77 -39.21 84.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.552 179.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -59.3 -38.07 79.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.218 -179.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -60.09 -43.75 95.29 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.824 -0.35 . . . . 0.0 111.203 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 10.0 p -87.07 -30.82 5.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.035 0.445 . . . . 0.0 111.054 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 65' ' ' ASP . . . . . 0.475 ' OD2' ' N ' ' C' ' 69' ' ' SER . 64.4 t0 -83.35 109.41 17.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.831 -179.194 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -66.71 -41.25 88.27 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.067 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 67' ' ' ASP . . . . . 0.436 ' OD1' ' OD1' ' C' ' 65' ' ' ASP . 1.8 p30 -76.02 -13.5 60.23 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 120.665 -0.414 . . . . 0.0 111.158 -179.34 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 66.0 21.73 69.94 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 110.636 -0.986 . . . . 0.0 110.636 178.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 69' ' ' SER . . . . . 0.475 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 88.5 p -60.05 -20.74 59.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.767 0.318 . . . . 0.0 110.571 -179.204 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.31 3.18 90.19 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 179.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 82.3 p -128.12 157.15 41.55 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 47.6 t -116.43 126.03 73.71 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -100.85 -174.34 2.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.197 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 74' ' ' PHE . . . . . 0.561 ' CE1' ' CD2' ' C' ' 24' ' ' PHE . 23.3 m-85 -60.03 -46.84 88.19 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.233 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 75' ' ' ASP . . . . . 0.481 ' O ' HG23 ' C' ' 79' ' ' VAL . 5.9 m-20 -63.58 -43.77 96.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.069 0.461 . . . . 0.0 110.588 179.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -66.97 -39.03 87.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.826 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 77' ' ' PHE . . . . . 0.553 ' CD2' HD12 ' C' ' 78' ' ' LEU . 2.6 t80 -58.31 -49.12 78.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.727 179.336 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 78' ' ' LEU . . . . . 0.553 HD12 ' CD2' ' C' ' 77' ' ' PHE . 6.5 mp -64.49 -41.04 96.7 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.33 -0.548 . . . . 0.0 110.553 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 79' ' ' VAL . . . . . 0.481 HG23 ' O ' ' C' ' 75' ' ' ASP . 75.2 t -65.38 -38.74 83.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.24 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 12.7 tmm? -62.32 -41.67 98.74 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.192 0.52 . . . . 0.0 110.013 -179.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 81' ' ' MET . . . . . 0.43 ' C ' ' SD ' ' C' ' 81' ' ' MET . 1.5 tmt? -63.45 -48.09 79.17 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.561 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 75.1 t -68.1 -41.46 84.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.74 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 76.5 ttt-85 -59.31 -44.58 92.53 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.965 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 84' ' ' CYS . . . . . 0.558 ' SG ' ' N ' ' C' ' 85' ' ' MET . 9.6 p -65.19 -39.62 93.12 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.105 -179.604 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 85' ' ' MET . . . . . 0.558 ' N ' ' SG ' ' C' ' 84' ' ' CYS . 16.3 tpt -67.88 -42.1 81.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.781 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 64.4 tttm . . . . . 0 N--CA 1.45 -0.436 0 CA-C-O 120.942 0.401 . . . . 0.0 110.532 -179.615 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.533 0.206 . . . . 0.0 110.496 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 59.6 mtt -62.09 -44.15 97.3 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.913 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 154' ' ' MET . . . . . 0.575 ' N ' ' SD ' ' I' ' 154' ' ' MET . 0.0 OUTLIER -64.47 -42.97 95.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.854 0.359 . . . . 0.0 110.777 179.668 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -66.75 -40.99 88.5 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.446 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.188 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.736 179.759 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.535 0 N-CA-C 110.374 -0.232 . . . . 0.0 110.374 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.55 -44.09 95.17 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 119.788 -0.765 . . . . 0.0 110.12 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 65.5 t -67.81 -47.0 81.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.14 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 72.6 tt0 -61.6 -33.1 73.32 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.32 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 43.2 tp60 -60.48 -35.92 77.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.084 -179.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . 0.412 ' CB ' ' HZ3' ' C' ' 17' ' ' LYS . 5.7 mp -50.24 170.69 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.439 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 59.0 p -99.05 163.53 12.54 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.222 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.54 -39.02 92.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.727 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -67.24 -45.02 77.99 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.634 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -61.52 -42.04 98.21 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 17' ' ' LYS . . . . . 0.412 ' HZ3' ' CB ' ' C' ' 12' ' ' LEU . 17.6 mtmm -64.75 -37.64 88.28 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.058 178.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -60.79 -43.51 98.02 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 119.623 -0.831 . . . . 0.0 110.688 -178.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -65.43 -38.67 90.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.138 0.494 . . . . 0.0 110.73 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -62.87 -41.34 99.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.551 -179.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 5.4 tttp -62.22 -39.98 94.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.112 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.86 -41.24 95.5 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.548 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.01 -39.29 91.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.267 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 24' ' ' PHE . . . . . 0.621 ' CD2' ' CE1' ' C' ' 74' ' ' PHE . 82.2 t80 -58.74 -46.22 87.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.091 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -58.42 -45.17 88.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.403 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.59 -41.9 91.73 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 CA-C-O 121.078 0.466 . . . . 0.0 110.471 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -53.0 -39.43 63.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.829 -179.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . 0.566 ' HB ' ' HB3' ' C' ' 31' ' ' ALA . 27.3 m -84.3 25.25 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.08 -179.418 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 29' ' ' LEU . . . . . 0.425 HD12 ' N ' ' C' ' 30' ' ' GLY . 1.7 pp -42.44 -42.19 3.17 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.509 179.491 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 30' ' ' GLY . . . . . 0.425 ' N ' HD12 ' C' ' 29' ' ' LEU . . . -105.47 15.84 45.51 Favored Glycine 0 CA--C 1.53 1.017 0 C-N-CA 121.25 -0.5 . . . . 0.0 112.421 -179.204 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 31' ' ' ALA . . . . . 0.566 ' HB3' ' HB ' ' C' ' 28' ' ' VAL . . . -117.46 102.68 9.41 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 117.307 0.553 . . . . 0.0 111.305 -179.338 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -71.39 -20.34 62.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.463 179.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -70.46 -19.25 62.98 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.491 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.77 11.15 82.11 Favored Glycine 0 CA--C 1.521 0.429 0 N-CA-C 110.601 -0.999 . . . . 0.0 110.601 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 35' ' ' CYS . . . . . . . . . . . . . 79.3 m -119.54 147.05 44.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.946 0.403 . . . . 0.0 110.649 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 96.7 mt -94.22 127.05 46.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.066 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 22.2 t -136.43 -164.87 1.63 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.153 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 73.2 p -63.64 -29.74 70.94 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.496 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 64.8 mmtt -62.22 -47.24 85.3 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.007 0.432 . . . . 0.0 110.763 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -68.49 -40.38 80.92 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 121.24 0.543 . . . . 0.0 110.306 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 1.6 mp -67.7 -34.91 77.81 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.025 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.44 -41.28 99.5 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -66.33 -40.96 90.22 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-O 121.265 0.555 . . . . 0.0 110.346 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 54.6 t -62.12 -45.34 98.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.743 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 19.8 mmt -61.57 -40.54 95.11 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.748 -179.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -62.99 -41.03 99.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.523 -179.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 61.0 ttp -62.23 -38.14 88.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.156 0.503 . . . . 0.0 110.238 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 89.6 mt -64.56 -17.69 64.17 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.514 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 93.47 14.76 52.77 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 26.4 mm100 -105.32 145.91 30.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.763 0.316 . . . . 0.0 110.158 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -134.89 66.64 68.98 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.542 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_endo -77.36 -171.56 1.2 Allowed 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 123.198 2.599 . . . . 0.0 111.934 179.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.02 153.66 41.8 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.059 -179.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -60.24 -28.99 88.01 Favored 'Trans proline' 0 N--CA 1.5 1.898 0 C-N-CA 122.762 2.308 . . . . 0.0 112.844 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -61.81 -37.24 83.69 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.374 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -66.28 -40.16 89.87 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.183 -179.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 57' ' ' LEU . . . . . 0.45 HD12 ' N ' ' C' ' 57' ' ' LEU . 11.0 mp -60.72 -41.85 96.12 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.157 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -67.29 -41.05 86.08 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.059 -0.656 . . . . 0.0 110.176 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -61.9 -39.98 93.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.04 -179.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 17.0 tpt -61.02 -46.21 91.68 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 96.4 mt -68.43 -39.67 81.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.681 179.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 62' ' ' ASP . . . . . 0.415 ' OD1' ' O ' ' C' ' 62' ' ' ASP . 65.2 t0 -55.71 -35.97 66.69 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.078 -179.141 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -57.11 -29.82 63.86 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.133 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 15.5 t -106.66 -30.97 2.56 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 65' ' ' ASP . . . . . 0.541 ' OD2' ' N ' ' C' ' 71' ' ' THR . 9.1 m-20 -81.44 91.58 6.33 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 121.093 0.473 . . . . 0.0 111.081 -179.511 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -63.95 -37.42 87.36 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.421 179.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 57.7 p30 -74.67 -11.41 60.17 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.005 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 69.57 14.96 70.3 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 110.756 -0.937 . . . . 0.0 110.756 179.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 96.9 p -61.82 -21.67 64.83 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 121.0 -0.28 . . . . 0.0 110.826 -179.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 79.97 12.34 83.5 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 71' ' ' THR . . . . . 0.541 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 60.4 p -128.4 154.05 46.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.887 0.375 . . . . 0.0 110.736 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 71.3 t -120.82 124.64 72.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.592 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -102.21 -172.05 2.07 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.354 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 74' ' ' PHE . . . . . 0.621 ' CE1' ' CD2' ' C' ' 24' ' ' PHE . 49.5 m-85 -60.17 -43.32 95.91 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.666 -0.414 . . . . 0.0 111.053 -179.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -64.35 -50.98 65.61 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.941 0.401 . . . . 0.0 110.809 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.87 -37.98 87.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.354 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -57.07 -48.36 78.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.935 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 90.1 mt -62.74 -40.75 98.19 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.251 -0.58 . . . . 0.0 110.302 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 67.2 t -65.55 -40.1 87.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.429 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 15.6 tmm? -62.57 -40.59 97.34 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-O 121.343 0.592 . . . . 0.0 110.049 -179.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 8.4 tpt -65.75 -45.01 84.21 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.451 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 63.9 t -64.8 -42.83 95.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.734 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 58.7 ttt85 -60.51 -43.65 96.84 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 121.018 0.437 . . . . 0.0 110.206 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 84' ' ' CYS . . . . . . . . . . . . . 89.3 m -62.78 -39.9 95.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.666 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 13.3 tpt -60.5 -42.61 96.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.647 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt . . . . . 0 C--N 1.332 -0.169 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.572 179.815 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.117 0 CA-C-O 120.87 0.366 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 14.6 tpt -60.91 -46.67 89.75 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 121.216 0.532 . . . . 0.0 110.478 -179.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 154' ' ' MET . . . . . . . . . . . . . 21.6 mmt -63.57 -41.11 98.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.234 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -65.18 -39.05 92.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.848 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.278 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.206 -179.508 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 -0.256 0 CA-C-O 120.664 0.268 . . . . 0.0 110.6 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.76 -43.4 98.9 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.031 -0.668 . . . . 0.0 110.08 -179.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 56.0 t -61.52 -47.54 92.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.252 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -65.83 -33.73 76.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.234 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -61.35 -36.62 80.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.258 -179.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 93.5 mt -39.58 147.71 0.08 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.039 0.447 . . . . 0.0 110.898 179.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 13' ' ' THR . . . . . 0.45 ' OG1' ' OE1' ' C' ' 16' ' ' GLN . 70.3 p -76.11 168.83 19.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.907 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -61.63 -28.9 69.7 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.619 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -71.54 -48.17 50.33 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.912 179.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 16' ' ' GLN . . . . . 0.45 ' OE1' ' OG1' ' C' ' 13' ' ' THR . 7.0 mp0 -61.8 -33.52 74.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.14 179.411 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.1 -41.59 34.7 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.95 178.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -64.7 -41.42 96.03 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.058 -0.657 . . . . 0.0 111.288 -179.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 19' ' ' GLU . . . . . 0.43 ' CD ' ' N ' ' C' ' 20' ' ' PHE . 3.0 pp20? -70.21 -38.75 75.35 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.293 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . 0.481 ' CD1' ' C ' ' C' ' 20' ' ' PHE . 0.0 OUTLIER -54.23 -51.26 65.02 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.691 179.351 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 21' ' ' LYS . . . . . 0.401 ' N ' ' CG ' ' C' ' 20' ' ' PHE . 13.0 tttm -59.45 -48.01 83.3 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.565 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.26 -41.41 99.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.077 0.465 . . . . 0.0 110.402 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.62 -39.73 94.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.782 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 24' ' ' PHE . . . . . 0.619 ' CD2' ' CE1' ' C' ' 74' ' ' PHE . 50.5 t80 -60.82 -42.55 97.91 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.148 -179.3 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -59.95 -44.4 94.43 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.961 0.41 . . . . 0.0 110.416 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 97.3 mt -67.34 -41.55 86.52 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.635 0 CA-C-O 121.259 0.552 . . . . 0.0 110.265 178.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.51 -41.16 76.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.805 -179.649 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . 0.48 ' HB ' ' HB3' ' C' ' 31' ' ' ALA . 26.4 m -89.46 28.61 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.046 -179.467 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 2.1 pp -43.06 -41.77 3.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.22 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . -107.1 15.55 39.69 Favored Glycine 0 CA--C 1.525 0.676 0 C-N-CA 121.376 -0.44 . . . . 0.0 112.075 -178.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 31' ' ' ALA . . . . . 0.48 ' HB3' ' HB ' ' C' ' 28' ' ' VAL . . . -125.01 86.08 2.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.32 0.581 . . . . 0.0 110.44 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -65.5 -22.91 66.78 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.305 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -69.96 -17.6 63.32 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.383 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 84.57 18.33 62.22 Favored Glycine 0 CA--C 1.52 0.347 0 N-CA-C 110.759 -0.936 . . . . 0.0 110.759 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 35' ' ' CYS . . . . . . . . . . . . . 74.6 m -118.61 143.34 46.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.674 0.273 . . . . 0.0 110.298 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 65.8 mt -114.72 123.86 70.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.847 -179.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 2.1 m -134.29 -167.82 2.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.829 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 67.6 p -64.76 -27.03 68.62 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.4 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 39' ' ' LYS . . . . . 0.435 ' CG ' ' N ' ' C' ' 40' ' ' GLU . 54.9 pttt -62.74 -40.75 98.21 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.846 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 40' ' ' GLU . . . . . 0.435 ' N ' ' CG ' ' C' ' 39' ' ' LYS . 0.7 OUTLIER -84.31 -38.19 20.72 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.017 0.436 . . . . 0.0 110.537 179.642 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.05 -24.23 62.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.194 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.14 -34.8 81.31 Favored Glycine 0 CA--C 1.529 0.915 0 N-CA-C 110.56 -1.016 . . . . 0.0 110.56 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -84.7 -35.85 22.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.011 0.434 . . . . 0.0 110.82 179.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 79.9 t -62.52 -45.23 99.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.723 -179.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 20.6 ptt? -64.87 -32.36 74.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.137 -179.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 9.5 tmm_? -61.01 -45.13 96.04 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.273 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 59.9 ttm -61.34 -40.91 96.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.107 0.479 . . . . 0.0 109.959 179.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 96.3 mt -68.86 -8.64 45.71 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.737 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.98 24.35 64.43 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 60.8 mm-40 -115.86 133.15 56.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.836 0.35 . . . . 0.0 110.566 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 33.2 m120 -130.23 68.21 80.84 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.107 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -73.78 -171.07 0.78 Allowed 'Trans proline' 0 C--N 1.307 -1.605 0 C-N-CA 122.803 2.335 . . . . 0.0 111.534 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 1.2 p -94.96 156.68 37.7 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.194 -179.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -52.92 -38.47 79.26 Favored 'Trans proline' 0 N--CA 1.503 2.056 0 C-N-CA 122.227 1.951 . . . . 0.0 113.131 179.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -62.52 -37.91 87.91 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-O 121.275 0.56 . . . . 0.0 111.101 -178.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -65.93 -41.88 90.81 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.87 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 96.1 mt -62.82 -40.44 97.38 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.085 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -64.93 -43.11 93.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.27 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -65.26 -37.93 88.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.012 179.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 67.5 mtp -59.62 -44.72 93.36 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.441 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 61' ' ' ILE . . . . . 0.419 HG21 ' C ' ' C' ' 70' ' ' GLY . 97.1 mt -70.83 -42.17 77.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.663 179.166 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -57.11 -37.04 71.39 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.216 -179.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -62.42 -41.74 98.92 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 33.3 m -97.29 -12.41 8.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 C-N-CA 120.547 -0.461 . . . . 0.0 111.382 -179.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 65' ' ' ASP . . . . . 0.586 ' CG ' ' H ' ' C' ' 68' ' ' GLY . 66.4 t0 -75.52 127.06 32.26 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.892 0.377 . . . . 0.0 110.756 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -79.43 -27.6 41.7 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.022 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.19 -11.47 17.24 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.486 -179.554 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 68' ' ' GLY . . . . . 0.586 ' H ' ' CG ' ' C' ' 65' ' ' ASP . . . 69.09 15.09 69.25 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.616 -0.994 . . . . 0.0 110.616 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 69' ' ' SER . . . . . 0.529 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 90.3 p -62.36 -20.31 64.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.677 0.275 . . . . 0.0 110.663 -179.498 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 70' ' ' GLY . . . . . 0.419 ' C ' HG21 ' C' ' 61' ' ' ILE . . . 91.75 7.96 64.14 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 72.4 p -129.67 155.48 45.79 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.745 0.307 . . . . 0.0 110.524 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 72.8 t -122.17 123.26 68.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.563 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 73' ' ' ASP . . . . . 0.41 ' H ' ' HB2' ' C' ' 76' ' ' GLU . 2.9 t0 -106.83 -167.52 1.29 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.012 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 74' ' ' PHE . . . . . 0.619 ' CE1' ' CD2' ' C' ' 24' ' ' PHE . 38.1 m-85 -60.49 -47.75 84.79 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -179.354 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -64.37 -44.77 90.35 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.046 0.45 . . . . 0.0 111.064 -179.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . 0.41 ' HB2' ' H ' ' C' ' 73' ' ' ASP . 61.3 mt-10 -67.2 -39.62 86.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.297 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -59.92 -47.61 85.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.872 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 78' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' C' ' 78' ' ' LEU . 84.5 mt -62.21 -41.93 98.83 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.47 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 66.7 t -66.11 -40.43 87.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.357 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 14.7 tmm? -63.41 -39.68 95.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.226 0.536 . . . . 0.0 110.087 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -66.39 -48.0 71.51 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.259 -179.622 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 78.9 t -66.59 -40.7 86.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.035 179.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 50.3 ttt85 -59.65 -43.61 93.85 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 120.904 0.383 . . . . 0.0 110.275 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 84' ' ' CYS . . . . . . . . . . . . . 53.8 t -59.69 -48.86 80.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.525 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 27.0 ttt -63.68 -45.17 91.28 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.632 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 27.5 ttpp . . . . . 0 N--CA 1.451 -0.41 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.969 179.878 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.361 0 CA-C-O 120.7 0.286 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 2.9 ptt? -68.91 -34.66 75.76 Favored 'General case' 0 C--O 1.232 0.148 0 C-N-CA 120.33 -0.548 . . . . 0.0 109.956 -179.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 154' ' ' MET . . . . . . . . . . . . . 56.0 mtt -62.05 -41.62 98.33 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.441 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -63.64 -41.19 98.27 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.59 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 C-N-CA 120.341 -0.544 . . . . 0.0 110.93 -179.698 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 -0.251 0 CA-C-O 120.71 0.291 . . . . 0.0 110.753 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.43 -43.08 97.14 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.315 -0.554 . . . . 0.0 110.485 -178.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 54.5 t -64.74 -48.71 83.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.289 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.69 -32.4 73.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.423 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -60.39 -25.05 65.6 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.467 -179.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 90.3 mt -56.95 134.73 55.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.999 0.428 . . . . 0.0 110.494 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 66.2 p -78.83 167.46 21.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.407 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -61.12 -39.53 90.35 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.968 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 60.8 mp0 -66.03 -39.88 90.58 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.545 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 79.9 mm-40 -61.92 -42.03 98.63 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.3 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 43.1 mttp -66.74 -37.4 84.57 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.104 179.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -61.86 -41.0 97.29 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 119.846 -0.741 . . . . 0.0 110.535 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -63.76 -37.46 87.43 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.491 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -62.32 -41.7 98.76 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.097 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 21.1 ttmt -60.68 -41.61 95.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.699 178.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.62 -43.69 93.71 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.384 -0.526 . . . . 0.0 110.365 -179.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.37 -41.69 98.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.199 179.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -62.97 -42.12 99.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.609 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 25' ' ' ASP . . . . . 0.431 ' O ' HG22 ' C' ' 28' ' ' VAL . 46.1 t0 -59.77 -41.02 90.17 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.115 0.483 . . . . 0.0 110.218 -179.673 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 96.4 mt -73.19 -39.69 56.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.13 0.49 . . . . 0.0 110.232 178.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 27' ' ' PHE . . . . . 0.404 ' O ' ' OE2' ' C' ' 40' ' ' GLU . 0.5 OUTLIER -54.66 -37.55 65.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.94 -179.481 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . 0.431 HG22 ' O ' ' C' ' 25' ' ' ASP . 27.8 m -78.33 19.73 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.272 -179.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 29' ' ' LEU . . . . . 0.402 HD12 ' N ' ' C' ' 30' ' ' GLY . 2.4 pp -42.96 -39.82 2.74 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.101 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 30' ' ' GLY . . . . . 0.402 ' N ' HD12 ' C' ' 29' ' ' LEU . . . -114.34 27.3 9.05 Favored Glycine 0 CA--C 1.527 0.82 0 C-N-CA 121.385 -0.436 . . . . 0.0 112.077 -179.201 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 31' ' ' ALA . . . . . 0.475 ' N ' ' OE1' ' C' ' 40' ' ' GLU . . . -133.79 97.56 3.94 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 117.061 0.431 . . . . 0.0 110.769 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -71.85 -17.05 62.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.504 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -75.02 -16.41 60.61 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.754 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.25 19.03 63.33 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 35' ' ' CYS . . . . . 0.473 ' C ' HD13 ' C' ' 36' ' ' ILE . 30.7 p -138.52 157.83 45.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.927 0.394 . . . . 0.0 110.207 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . 0.552 HD13 ' N ' ' C' ' 36' ' ' ILE . 1.4 mm -99.79 129.92 49.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.987 0.422 . . . . 0.0 109.958 -179.304 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 39.2 t -138.39 178.95 6.76 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.734 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 68.4 p -58.28 -26.45 62.99 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.295 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 5.4 tmtp? -65.35 -57.1 9.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.501 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 40' ' ' GLU . . . . . 0.475 ' OE1' ' N ' ' C' ' 31' ' ' ALA . 34.2 tt0 -66.52 -39.73 88.8 Favored 'General case' 0 C--N 1.333 -0.123 0 C-N-CA 120.566 -0.454 . . . . 0.0 111.175 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 1.7 tp -57.26 -32.01 66.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.702 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.96 -39.96 97.75 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 -179.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp -71.61 -40.96 69.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.302 0.572 . . . . 0.0 110.542 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 74.9 t -64.57 -44.25 96.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.392 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 20.0 mmt -62.39 -39.39 93.04 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.794 -179.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 4.6 mtm180 -59.88 -41.06 90.75 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.524 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 16.1 tpt -62.72 -38.49 90.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.101 0.477 . . . . 0.0 110.24 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 96.4 mt -65.07 -23.14 67.08 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.506 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.92 20.62 10.41 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.286 -0.726 . . . . 0.0 111.286 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 28.6 mm100 -121.91 144.79 48.65 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.824 0.345 . . . . 0.0 110.443 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -130.21 70.29 82.18 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.478 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -75.48 -166.32 0.35 Allowed 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 122.927 2.418 . . . . 0.0 111.335 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 17.2 p -120.13 152.56 54.65 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.227 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -47.86 -39.73 31.88 Favored 'Trans proline' 0 N--CA 1.496 1.663 0 C-N-CA 122.036 1.824 . . . . 0.0 112.371 179.124 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 55' ' ' GLU . . . . . 0.405 ' HG2' ' H ' ' C' ' 55' ' ' GLU . 1.2 pt-20 -61.18 -42.91 99.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.968 0.413 . . . . 0.0 111.174 -179.614 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -64.88 -41.36 95.7 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.429 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 89.7 mt -66.97 -38.92 86.96 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.207 -179.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.15 -40.86 97.07 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.403 -179.719 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.79 -43.97 97.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.922 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 60.6 mtt -62.89 -43.67 98.18 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.05 0.452 . . . . 0.0 110.466 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 92.2 mt -65.08 -39.06 84.36 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.735 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -58.46 -40.89 83.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.351 -179.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -64.43 -41.43 96.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.957 0.408 . . . . 0.0 110.58 178.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 96.7 t -76.73 -33.01 21.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.858 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 65' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -84.86 120.26 26.26 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.93 0.395 . . . . 0.0 111.015 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 25.9 pt-20 -78.14 -20.97 51.0 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.601 179.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 45.7 p30 -98.51 -8.89 25.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.274 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 67.29 20.74 71.62 Favored Glycine 0 CA--C 1.52 0.387 0 N-CA-C 110.527 -1.029 . . . . 0.0 110.527 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 92.2 p -59.09 -33.14 70.48 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.82 -179.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 95.87 -0.13 62.49 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 72.6 p -136.74 161.22 36.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.67 0.271 . . . . 0.0 110.632 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 95.5 t -111.41 119.43 59.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.363 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 56.4 p30 -98.22 -172.3 2.32 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.462 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.8 -51.47 68.83 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.683 -179.655 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -61.99 -45.51 93.32 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.233 -179.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -68.31 -31.28 70.59 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.521 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -65.46 -46.71 78.78 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.8 178.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.99 -49.26 78.36 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.605 -178.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 35.7 m -67.26 -30.11 48.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.1 -179.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 80' ' ' MET . . . . . 0.424 ' O ' ' SG ' ' C' ' 84' ' ' CYS . 65.4 ttp -63.55 -42.36 98.37 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 17.4 tpt -66.36 -46.29 77.24 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.773 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 75.9 t -64.57 -46.72 91.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.136 -179.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -63.39 -41.04 98.75 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.686 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 84' ' ' CYS . . . . . 0.424 ' SG ' ' O ' ' C' ' 80' ' ' MET . 96.1 m -65.19 -40.42 94.2 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.677 179.631 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 27.9 ttt -60.8 -48.62 80.96 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.851 -179.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 13.6 pttp . . . . . 0 C--N 1.332 -0.191 0 CA-C-O 120.954 0.407 . . . . 0.0 110.63 -179.906 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.178 0 CA-C-O 120.854 0.359 . . . . 0.0 110.477 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 5.9 tpt -62.17 -44.54 96.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.306 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 154' ' ' MET . . . . . . . . . . . . . 32.4 mmt -64.23 -38.82 92.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.767 179.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -60.26 -43.16 96.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.243 -179.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.515 179.516 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' C' ' 11' ' ' GLN . . . . . . . . 0 C--O 1.223 -0.296 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.21 -40.53 90.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.053 0.454 . . . . 0.0 110.315 -179.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 54.6 t -61.42 -45.44 98.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.492 179.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -75.75 -31.89 59.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.678 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 11' ' ' GLN . . . . . 0.452 ' O ' ' C ' ' C' ' 12' ' ' LEU . 41.1 tp60 -63.15 -29.94 71.19 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.723 -178.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . 0.452 ' C ' ' O ' ' C' ' 11' ' ' GLN . 0.9 OUTLIER -31.84 133.77 0.09 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.966 0.413 . . . . 0.0 111.204 -179.275 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 71.6 p -77.93 165.51 24.01 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.621 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.61 -38.49 84.87 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.435 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -63.97 -44.03 93.97 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.787 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -63.29 -40.7 98.1 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.265 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 46.9 mttp -64.15 -39.4 93.93 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.408 179.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -62.6 -48.13 80.77 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 119.942 -0.703 . . . . 0.0 110.945 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.17 -38.63 91.76 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.632 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . 0.507 ' CD2' ' SD ' ' C' ' 81' ' ' MET . 3.7 m-30 -63.61 -43.04 98.06 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.995 -178.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 23.4 mtpp -64.15 -38.22 90.26 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.657 178.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.67 -44.59 93.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.902 0.382 . . . . 0.0 110.284 -179.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.6 -38.45 91.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.334 178.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 24' ' ' PHE . . . . . 0.488 ' CE2' ' CZ ' ' C' ' 74' ' ' PHE . 83.8 t80 -57.76 -46.19 84.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.062 -179.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -60.65 -39.9 90.01 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.971 0.415 . . . . 0.0 110.253 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 95.2 mt -68.51 -40.0 81.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.956 0.408 . . . . 0.0 110.864 179.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -58.14 -39.27 78.33 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.099 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . 0.45 ' C ' ' H ' ' C' ' 30' ' ' GLY . 28.9 m -79.89 19.38 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 120.912 -0.315 . . . . 0.0 111.09 -179.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 29' ' ' LEU . . . . . 0.666 HD12 ' N ' ' C' ' 30' ' ' GLY . 3.1 pp -55.51 -7.94 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.655 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 30' ' ' GLY . . . . . 0.666 ' N ' HD12 ' C' ' 29' ' ' LEU . . . -119.78 6.52 12.37 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -179.545 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -130.71 126.96 37.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.886 0.374 . . . . 0.0 110.535 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 32' ' ' GLU . . . . . 0.4 ' OE1' ' N ' ' C' ' 32' ' ' GLU . 47.2 mp0 -85.32 -21.43 28.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.607 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -75.31 -18.67 59.98 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.502 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.16 6.0 63.44 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 35' ' ' CYS . . . . . . . . . . . . . 84.9 m -104.99 149.89 25.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.603 0.239 . . . . 0.0 110.491 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 67.7 mt -101.67 121.11 52.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 50.0 m -116.22 -167.24 1.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.152 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 40.3 p -62.08 -30.92 71.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.593 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -61.58 -47.7 84.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.014 0.435 . . . . 0.0 110.817 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 36.0 mp0 -64.01 -40.75 97.04 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.537 0.684 . . . . 0.0 110.296 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 41' ' ' LEU . . . . . 0.459 ' O ' ' SD ' ' C' ' 45' ' ' MET . 2.2 mm? -66.45 -33.41 75.63 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.983 179.296 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.73 -39.11 96.22 Favored Glycine 0 CA--C 1.52 0.374 0 N-CA-C 110.684 -0.966 . . . . 0.0 110.684 179.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -66.05 -40.25 90.79 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.192 0.52 . . . . 0.0 110.016 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 56.9 t -61.15 -44.75 98.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.374 179.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 45' ' ' MET . . . . . 0.607 ' SD ' ' N ' ' C' ' 45' ' ' MET . 0.0 OUTLIER -61.43 -39.94 92.65 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.734 -179.363 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 46.5 mtt-85 -60.5 -40.94 93.17 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.35 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 97.9 mtp -64.69 -37.0 86.11 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.58 179.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . 0.458 HD21 ' HG3' ' I' ' 153' ' ' MET . 96.0 mt -74.83 -5.77 45.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.457 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 82.94 20.51 61.01 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 -116.94 141.79 47.77 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.829 0.347 . . . . 0.0 110.357 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -133.69 74.54 70.04 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.374 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -78.3 -170.2 0.93 Allowed 'Trans proline' 0 C--N 1.306 -1.689 0 C-N-CA 122.966 2.444 . . . . 0.0 112.09 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 53' ' ' THR . . . . . 0.409 ' O ' ' HG3' ' C' ' 56' ' ' GLU . 0.8 OUTLIER -99.23 154.05 37.49 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.434 -179.627 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -64.07 -26.54 65.66 Favored 'Trans proline' 0 C--N 1.303 -1.846 0 C-N-CA 121.764 1.643 . . . . 0.0 112.609 179.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -64.35 -50.51 67.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.129 0.49 . . . . 0.0 111.173 -178.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . 0.409 ' HG3' ' O ' ' C' ' 53' ' ' THR . 0.0 OUTLIER -69.29 -32.09 71.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.089 -179.291 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 81.0 mt -64.03 -39.49 94.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.331 178.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -65.68 -40.22 92.12 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.218 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -61.82 -39.09 90.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.447 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 97.0 mtp -61.85 -41.45 97.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.43 179.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 61' ' ' ILE . . . . . 0.559 HG21 ' C ' ' C' ' 70' ' ' GLY . 88.5 mt -62.09 -43.05 97.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.092 179.547 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -61.35 -40.12 93.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.995 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.04 -45.58 92.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.864 -179.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 10.7 p -82.88 -30.53 8.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.789 0.328 . . . . 0.0 110.839 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 65' ' ' ASP . . . . . 0.501 ' OD2' ' N ' ' C' ' 69' ' ' SER . 64.3 t0 -80.93 109.22 15.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.069 0.462 . . . . 0.0 110.734 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -64.85 -40.42 95.12 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.556 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 67' ' ' ASP . . . . . 0.453 ' OD1' ' OD1' ' C' ' 65' ' ' ASP . 1.4 p30 -80.35 -14.39 58.39 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.984 -179.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 64.96 24.09 69.89 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 178.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 69' ' ' SER . . . . . 0.501 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 86.4 p -59.24 -20.39 53.73 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.732 -179.159 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 70' ' ' GLY . . . . . 0.559 ' C ' HG21 ' C' ' 61' ' ' ILE . . . 98.22 -6.59 61.69 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 66.2 p -136.17 161.92 34.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.629 0.252 . . . . 0.0 110.488 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 47.8 t -102.69 128.35 55.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -105.06 -169.85 1.67 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.13 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 74' ' ' PHE . . . . . 0.488 ' CZ ' ' CE2' ' C' ' 24' ' ' PHE . 47.2 m-85 -60.71 -45.75 93.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.43 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.69 -53.8 52.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.141 0.495 . . . . 0.0 111.341 -179.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . 0.451 ' OE2' ' OD1' ' C' ' 65' ' ' ASP . 94.2 mt-10 -64.83 -38.24 90.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.092 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -57.94 -46.37 85.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.803 179.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 76.5 mt -59.65 -41.84 91.45 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.331 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 66.1 t -66.23 -38.48 82.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.108 179.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 59.1 ttp -60.59 -41.66 95.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.107 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 81' ' ' MET . . . . . 0.507 ' SD ' ' CD2' ' C' ' 20' ' ' PHE . 1.0 OUTLIER -66.98 -47.45 71.52 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.82 -179.138 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 73.1 t -64.63 -43.65 96.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.577 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 59.2 ttt85 -61.27 -43.63 98.56 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 120.808 0.337 . . . . 0.0 110.833 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 84' ' ' CYS . . . . . . . . . . . . . 90.2 m -61.61 -41.57 97.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.159 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 47.3 tpp -63.03 -45.68 91.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.367 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 63.6 tttm . . . . . 0 N--CA 1.452 -0.36 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.446 -179.795 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.232 0 CA-C-O 120.754 0.311 . . . . 0.0 110.488 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' I' I ' 153' ' ' MET . . . . . 0.458 ' HG3' HD21 ' C' ' 48' ' ' LEU . 40.7 ttp -70.34 -43.16 70.8 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.616 179.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' I' I ' 154' ' ' MET . . . . . . . . . . . . . 4.5 tpp -61.83 -21.01 64.27 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.37 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -56.05 -41.25 74.75 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.628 -0.429 . . . . 0.0 109.864 -178.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 120.847 0.356 . . . . 0.0 110.455 178.868 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 -0.26 0 CA-C-O 120.671 0.272 . . . . 0.0 110.487 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.97 -42.9 99.64 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.123 -0.631 . . . . 0.0 109.897 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 54.1 t -61.91 -46.82 95.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.533 179.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -68.97 -29.5 67.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.189 179.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 11' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' C' ' 12' ' ' LEU . 50.5 tt0 -61.8 -37.84 85.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.679 -179.65 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' C' ' 11' ' ' GLN . 88.0 mt -38.34 142.01 0.21 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.915 0.388 . . . . 0.0 110.692 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 74.9 p -72.73 163.2 28.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.897 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 14' ' ' GLU . . . . . 0.407 ' O ' ' OD1' ' C' ' 18' ' ' ASN . 24.9 pt-20 -64.49 -34.17 77.59 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.75 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -66.32 -43.43 86.24 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.016 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -63.92 -41.4 97.66 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.039 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -63.98 -39.98 95.37 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.636 179.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 18' ' ' ASN . . . . . 0.407 ' OD1' ' O ' ' C' ' 14' ' ' GLU . 27.9 m120 -63.75 -39.18 93.65 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 119.781 -0.768 . . . . 0.0 111.158 -179.635 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -62.39 -41.06 98.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.882 0.372 . . . . 0.0 111.522 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -70.27 -37.21 74.83 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.405 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -58.83 -45.17 90.64 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.91 -42.99 99.73 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.404 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.01 -41.12 95.94 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.118 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 24' ' ' PHE . . . . . 0.48 ' CD1' ' CZ ' ' C' ' 74' ' ' PHE . 42.3 t80 -59.11 -44.71 92.0 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.385 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -58.94 -41.89 88.49 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.109 -178.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 26' ' ' ILE . . . . . 0.411 ' H ' HG12 ' C' ' 26' ' ' ILE . 17.1 pt -83.78 -20.98 8.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.972 179.508 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 27' ' ' PHE . . . . . 0.458 ' O ' ' OE2' ' C' ' 40' ' ' GLU . 0.5 OUTLIER -62.97 -41.65 99.6 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.195 -0.602 . . . . 0.0 109.69 179.246 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 14.1 m -73.2 18.86 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.67 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 29' ' ' LEU . . . . . 0.498 HD12 ' N ' ' C' ' 30' ' ' GLY . 2.3 pp -42.91 -44.53 4.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.781 0.324 . . . . 0.0 111.225 179.603 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 30' ' ' GLY . . . . . 0.498 ' N ' HD12 ' C' ' 29' ' ' LEU . . . -103.78 14.72 53.0 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.54 -0.624 . . . . 0.0 111.54 -179.378 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -120.99 97.71 5.66 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.153 0.501 . . . . 0.0 110.278 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -74.26 -12.42 60.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.994 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -79.84 -17.8 52.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.621 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.37 5.74 84.75 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 35' ' ' CYS . . . . . . . . . . . . . 80.3 m -126.94 151.65 48.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.683 0.277 . . . . 0.0 110.358 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 5.8 mm -86.09 120.35 35.81 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.189 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 40.2 m -129.36 -178.71 4.78 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.017 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 68.6 p -60.8 -29.56 69.53 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.877 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -62.57 -48.49 79.25 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.65 -0.42 . . . . 0.0 111.137 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 40' ' ' GLU . . . . . 0.458 ' OE2' ' O ' ' C' ' 27' ' ' PHE . 2.3 tt0 -70.69 -39.97 73.18 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-O 121.155 0.502 . . . . 0.0 111.159 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.33 -31.89 67.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.902 -179.221 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 42' ' ' GLY . . . . . 0.494 ' O ' ' NH1' ' C' ' 46' ' ' ARG . . . -61.71 -38.13 95.4 Favored Glycine 0 CA--C 1.527 0.838 0 N-CA-C 111.368 -0.693 . . . . 0.0 111.368 179.6 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.97 -41.49 74.38 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.343 0.592 . . . . 0.0 110.262 -179.142 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 69.2 t -62.71 -43.04 98.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.333 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 22.2 mmt -61.46 -40.02 92.98 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.154 -179.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 46' ' ' ARG . . . . . 0.494 ' NH1' ' O ' ' C' ' 42' ' ' GLY . 82.6 mtt85 -61.77 -39.85 93.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.792 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 21.0 ttt -64.1 -37.28 86.88 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.138 0.494 . . . . 0.0 110.086 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 96.1 mt -73.35 -9.08 58.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.618 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 88.52 16.37 58.75 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.291 -0.723 . . . . 0.0 111.291 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -104.15 150.51 24.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.831 0.348 . . . . 0.0 110.251 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 53.4 p30 -132.23 63.34 67.93 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.403 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -73.3 -170.5 0.66 Allowed 'Trans proline' 0 C--N 1.303 -1.844 0 C-N-CA 122.771 2.314 . . . . 0.0 111.796 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -119.23 154.14 53.6 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.241 -179.512 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo -63.39 -27.93 71.29 Favored 'Trans proline' 0 N--CA 1.494 1.552 0 C-N-CA 122.131 1.887 . . . . 0.0 112.66 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -63.96 -49.0 74.25 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.384 0.612 . . . . 0.0 111.068 -178.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -70.92 -34.63 71.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.166 -0.924 . . . . 0.0 110.422 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 77.4 mt -63.81 -39.64 94.73 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.925 179.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 22.0 tm0? -63.95 -42.94 97.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.625 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -62.23 -38.65 90.04 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.619 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 28.4 ttt -59.5 -46.68 88.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.327 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.76 -40.53 89.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.2 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -59.37 -32.62 70.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.003 -179.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -59.56 -43.52 93.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.893 -179.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 12.5 m -92.17 -28.71 4.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.593 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 65' ' ' ASP . . . . . 0.453 ' OD2' ' N ' ' C' ' 69' ' ' SER . 53.4 t0 -77.63 110.69 12.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.04 0.448 . . . . 0.0 110.386 -179.435 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 58.0 mp0 -67.02 -39.68 87.08 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.767 -179.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 67' ' ' ASP . . . . . 0.431 ' OD1' ' OD1' ' C' ' 65' ' ' ASP . 1.6 p30 -76.71 -13.47 60.04 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.923 -179.521 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 66.54 18.08 67.44 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.51 -1.036 . . . . 0.0 110.51 178.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 69' ' ' SER . . . . . 0.453 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 95.7 p -61.08 -21.5 63.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.686 0.279 . . . . 0.0 110.639 -179.214 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.01 11.24 79.27 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 73.0 p -133.9 157.16 46.68 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 30.6 t -121.93 123.64 69.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 57.2 p30 -97.44 -169.77 1.9 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.407 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 74' ' ' PHE . . . . . 0.48 ' CZ ' ' CD1' ' C' ' 24' ' ' PHE . 25.1 m-85 -60.11 -48.89 79.84 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.59 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -63.25 -45.14 92.93 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.301 -179.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.59 -36.36 80.75 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -57.6 -47.67 81.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.211 179.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -61.85 -39.29 91.33 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.14 -0.624 . . . . 0.0 110.368 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 53.8 t -62.83 -41.93 94.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.193 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 17.0 tmm? -70.14 -37.47 75.28 Favored 'General case' 0 C--N 1.313 -0.987 0 C-N-CA 120.332 -0.547 . . . . 0.0 109.952 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 10.6 tpt -64.71 -49.03 72.48 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.191 -178.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 82' ' ' VAL . . . . . 0.429 HG13 ' N ' ' C' ' 83' ' ' ARG . 5.3 p -67.59 -39.6 82.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.925 0.393 . . . . 0.0 110.295 -179.519 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 83' ' ' ARG . . . . . 0.429 ' N ' HG13 ' C' ' 82' ' ' VAL . 40.1 ttt180 -61.35 -41.01 96.36 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.494 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 84' ' ' CYS . . . . . . . . . . . . . 98.5 m -61.78 -41.5 97.79 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.56 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 88.7 mmm -62.98 -41.21 99.5 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.476 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 50.6 mtpt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.188 -179.909 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.719 0.295 . . . . 0.0 110.726 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 3.8 mmt -62.88 -45.01 94.55 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.978 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 154' ' ' MET . . . . . . . . . . . . . 91.3 mmm -70.88 -34.04 71.2 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.375 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -58.8 -46.64 87.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.28 -179.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.527 0 CA-C-O 121.036 0.446 . . . . 0.0 109.975 178.557 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 -0.35 0 CA-C-O 120.792 0.33 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.31 -42.6 99.5 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.172 -0.611 . . . . 0.0 110.373 -179.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 53.1 t -61.84 -47.89 91.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.156 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -70.12 -33.74 72.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.018 0.437 . . . . 0.0 110.603 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 20.1 tm0? -62.48 -39.26 92.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.181 -179.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 43.7 mt -58.73 145.91 38.61 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.943 0.401 . . . . 0.0 110.774 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 13' ' ' THR . . . . . 0.448 ' OG1' ' OE1' ' C' ' 16' ' ' GLN . 65.0 p -70.86 167.43 18.97 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.657 -179.52 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -62.46 -38.33 89.39 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.18 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.95 -45.85 91.89 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.752 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 16' ' ' GLN . . . . . 0.45 ' O ' ' CD2' ' C' ' 20' ' ' PHE . 4.2 mp0 -60.88 -43.45 98.44 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.534 -0.466 . . . . 0.0 110.156 179.417 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 14.6 mmmt -64.49 -40.21 95.24 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.544 179.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -63.9 -40.24 96.05 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 120.407 -0.517 . . . . 0.0 111.591 -179.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -61.9 -43.01 99.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.179 0.514 . . . . 0.0 111.099 -179.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . 0.45 ' CD2' ' O ' ' C' ' 16' ' ' GLN . 18.3 m-85 -70.6 -40.25 73.33 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.134 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -60.09 -40.7 90.48 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.942 179.328 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.73 -42.47 97.37 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.159 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.95 -40.04 94.19 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.314 179.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -59.58 -44.96 93.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.067 179.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -59.29 -39.74 83.94 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.908 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 95.4 mt -68.85 -40.71 81.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.909 0.385 . . . . 0.0 110.721 178.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -56.01 -39.8 72.45 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.629 -0.429 . . . . 0.0 111.262 -179.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 31.4 m -78.21 21.71 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.009 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 1.7 pp -45.55 -29.35 1.15 Allowed 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.824 179.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . -129.38 34.78 2.72 Favored Glycine 0 CA--C 1.528 0.896 0 C-N-CA 121.114 -0.565 . . . . 0.0 112.329 -179.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 31' ' ' ALA . . . . . 0.61 ' HB2' ' OE2' ' C' ' 40' ' ' GLU . . . -124.16 107.22 11.01 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.948 0.404 . . . . 0.0 110.984 179.636 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -71.74 -29.32 64.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.827 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 53.6 p-10 -71.93 -15.95 62.1 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.707 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 81.49 18.44 68.61 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 35' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -124.19 165.19 18.02 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.728 0.299 . . . . 0.0 110.461 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 87.8 mt -106.03 127.37 61.2 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.152 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 4.6 t -131.97 -165.47 1.59 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.045 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 77.3 p -65.97 -25.65 67.2 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.31 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -66.43 -50.68 62.57 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.189 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 40' ' ' GLU . . . . . 0.61 ' OE2' ' HB2' ' C' ' 31' ' ' ALA . 60.2 mp0 -66.24 -42.83 88.05 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 121.076 0.465 . . . . 0.0 110.95 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 18.8 mt -67.92 -36.25 79.86 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.259 179.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.12 -40.22 96.87 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -70.1 -40.52 74.89 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.099 0.476 . . . . 0.0 110.734 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 71.8 t -62.78 -46.53 96.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.843 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 76.2 mtp -63.85 -38.2 90.21 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 120.103 -0.639 . . . . 0.0 110.167 -179.016 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 24.7 tpt85 -59.77 -43.34 94.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.363 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 7.4 tpt -61.23 -38.14 85.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.981 0.42 . . . . 0.0 110.2 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 82.7 mt -64.92 -15.53 62.2 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.663 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 98.6 11.11 48.58 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -98.37 145.69 26.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.982 0.42 . . . . 0.0 110.579 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -129.88 68.91 81.37 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.278 179.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -75.68 -167.85 0.48 Allowed 'Trans proline' 0 C--N 1.307 -1.617 0 C-N-CA 122.939 2.426 . . . . 0.0 111.195 179.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 47.0 p -122.39 151.66 59.78 Favored Pre-proline 0 CA--C 1.535 0.377 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -49.1 -32.82 25.24 Favored 'Trans proline' 0 N--CA 1.496 1.644 0 C-N-CA 122.046 1.831 . . . . 0.0 112.606 179.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -62.68 -41.74 99.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.133 0.492 . . . . 0.0 110.46 -178.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -65.99 -45.2 82.47 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.629 -179.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 11.0 mp -65.2 -40.1 93.72 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.401 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -63.52 -43.93 95.73 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.578 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -65.77 -39.36 90.92 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.722 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 74.7 mtp -58.04 -46.63 85.03 Favored 'General case' 0 CA--C 1.516 -0.352 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.892 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 61' ' ' ILE . . . . . 0.478 HG21 ' C ' ' C' ' 70' ' ' GLY . 96.7 mt -66.73 -40.37 85.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 C-N-CA 120.135 -0.626 . . . . 0.0 110.716 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -59.51 -44.96 92.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.966 -179.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -63.69 -41.33 98.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.854 0.359 . . . . 0.0 110.899 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 90.9 t -78.9 -32.91 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.84 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 65' ' ' ASP . . . . . 0.532 ' OD2' ' N ' ' C' ' 69' ' ' SER . 49.2 t0 -85.5 113.83 22.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.677 -179.344 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -73.2 -35.84 66.43 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.703 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 67' ' ' ASP . . . . . 0.425 ' OD1' ' OD1' ' C' ' 65' ' ' ASP . 0.5 OUTLIER -76.74 -12.46 59.99 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.185 -179.69 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 67.71 19.33 71.14 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 110.751 -0.94 . . . . 0.0 110.751 179.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 69' ' ' SER . . . . . 0.532 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 90.5 p -60.51 -22.98 64.19 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.894 -179.298 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 70' ' ' GLY . . . . . 0.478 ' C ' HG21 ' C' ' 61' ' ' ILE . . . 86.09 2.8 85.65 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 62.8 p -133.57 164.26 27.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.722 0.296 . . . . 0.0 110.578 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 91.8 t -118.41 123.07 71.02 Favored 'Isoleucine or valine' 0 C--O 1.231 0.121 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.404 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 73' ' ' ASP . . . . . 0.448 ' CG ' ' H ' ' C' ' 74' ' ' PHE . 35.2 t0 -100.21 -173.69 2.49 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.249 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 74' ' ' PHE . . . . . 0.463 ' CZ ' HD11 ' C' ' 78' ' ' LEU . 88.2 t80 -59.21 -48.96 79.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.187 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.32 -44.77 95.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -68.33 -36.42 79.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.953 179.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -57.43 -47.95 80.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.433 179.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 78' ' ' LEU . . . . . 0.463 HD11 ' CZ ' ' C' ' 74' ' ' PHE . 25.1 mt -62.07 -40.71 96.73 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 119.979 -0.689 . . . . 0.0 110.39 179.359 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 2.1 t -68.02 -32.63 57.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.125 179.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 3.4 ttt -63.27 -39.37 94.4 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.432 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 4.2 mtp -80.68 -42.01 22.75 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.204 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 82' ' ' VAL . . . . . 0.404 HG23 ' O ' ' C' ' 78' ' ' LEU . 53.4 t -61.43 -40.79 87.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.457 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 7.8 tpt85 -57.7 -45.95 85.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.317 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 84' ' ' CYS . . . . . . . . . . . . . 97.7 m -61.13 -46.52 90.23 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.356 -0.538 . . . . 0.0 111.033 -179.261 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 61.1 mtt -69.53 -42.54 74.51 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.656 -0.418 . . . . 0.0 111.228 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 12.6 ttmt . . . . . 0 N--CA 1.447 -0.586 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 179.905 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.206 0 CA-C-O 121.131 0.491 . . . . 0.0 110.808 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 54.1 ttp -61.3 -43.05 99.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.131 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' I' I ' 154' ' ' MET . . . . . . . . . . . . . 59.5 tpp -62.15 -40.62 96.58 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -59.2 -43.46 92.23 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.548 -179.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.86 0 C-N-CA 119.818 -0.753 . . . . 0.0 110.965 -179.994 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.425 0 CA-C-O 120.795 0.331 . . . . 0.0 110.203 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.81 -41.53 91.44 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.777 0.322 . . . . 0.0 110.472 -179.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 55.6 t -63.68 -46.86 93.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.959 179.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 -71.65 -36.36 70.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.143 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -63.01 -39.22 94.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.03 -179.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 8.6 mt -43.43 132.15 4.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.664 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 82.0 p -70.37 165.41 22.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.733 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -63.41 -37.68 88.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.512 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -62.1 -44.96 95.53 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.358 -179.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -64.06 -41.16 97.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.471 179.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.73 -39.76 95.07 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.718 179.181 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -62.49 -40.01 95.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.615 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -61.57 -43.99 97.84 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.716 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -66.1 -39.05 89.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.506 179.294 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 56.8 tttm -60.4 -42.04 95.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.153 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.76 -40.82 93.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.178 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.75 -38.6 88.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.418 179.196 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -58.5 -46.44 86.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.185 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -60.14 -41.4 92.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.323 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 97.9 mt -69.47 -37.65 75.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.337 0.589 . . . . 0.0 110.211 178.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.56 -40.54 75.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.577 -178.566 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 29.2 m -82.06 23.19 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.085 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 29' ' ' LEU . . . . . 0.654 HD12 ' N ' ' C' ' 30' ' ' GLY . 3.8 pp -60.21 -10.34 4.41 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.49 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 30' ' ' GLY . . . . . 0.654 ' N ' HD12 ' C' ' 29' ' ' LEU . . . -125.17 15.03 7.36 Favored Glycine 0 CA--C 1.522 0.479 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.589 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 31' ' ' ALA . . . . . 0.4 ' CB ' ' O ' ' C' ' 35' ' ' CYS . . . -125.12 124.21 41.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.794 0.33 . . . . 0.0 110.616 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -86.5 -14.04 44.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.572 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -93.25 -7.48 44.96 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.587 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 81.07 17.13 72.87 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 35' ' ' CYS . . . . . 0.4 ' O ' ' CB ' ' C' ' 31' ' ' ALA . 31.3 p -112.58 158.22 20.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.746 0.308 . . . . 0.0 110.563 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 87.5 mt -110.87 123.2 66.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.411 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 52.5 p -125.88 -165.9 1.49 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.313 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 74.4 p -64.23 -33.38 75.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.027 0.441 . . . . 0.0 110.255 -179.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 53.3 mttp -64.06 -41.64 97.28 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.622 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.53 -46.44 63.62 Favored 'General case' 0 C--O 1.23 0.063 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.811 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 11.2 mt -64.12 -17.66 63.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.566 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.32 -37.43 93.06 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 51.4 mmtt -64.73 -39.61 93.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.976 0.417 . . . . 0.0 110.547 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 69.8 t -61.77 -41.85 92.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.099 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 34.0 mmt -60.48 -41.29 93.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.649 -179.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -61.78 -41.21 97.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.435 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 4.4 mmt -61.12 -33.22 73.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.774 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 96.6 mt -78.95 -5.31 53.46 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.618 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.3 20.87 71.4 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -115.96 143.61 45.21 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.782 0.325 . . . . 0.0 110.538 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -134.43 68.65 73.0 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.448 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -77.41 -168.15 0.56 Allowed 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 123.05 2.5 . . . . 0.0 112.268 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.77 155.97 41.27 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.776 -179.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -59.07 -29.14 89.78 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.707 2.271 . . . . 0.0 112.311 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -61.26 -37.74 84.21 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.116 0.484 . . . . 0.0 109.887 -179.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -64.87 -39.36 93.41 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.111 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 57' ' ' LEU . . . . . 0.502 HD22 ' N ' ' C' ' 57' ' ' LEU . 4.2 mm? -61.01 -39.99 91.85 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.792 179.472 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -63.66 -42.4 98.08 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.812 179.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.31 -40.99 96.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.345 -179.204 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 68.3 mtt -62.4 -42.99 99.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.559 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 61' ' ' ILE . . . . . 0.617 HG21 ' C ' ' C' ' 70' ' ' GLY . 97.1 mt -65.37 -44.72 94.56 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.258 0 CA-C-O 121.169 0.509 . . . . 0.0 110.364 179.697 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -60.97 -40.01 91.77 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.771 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -60.98 -46.02 92.44 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.113 -178.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 32.4 m -80.45 -31.06 12.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.852 -179.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 65' ' ' ASP . . . . . 0.482 ' OD2' HG22 ' C' ' 61' ' ' ILE . 69.6 m-20 -71.41 123.33 22.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.552 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -70.26 -39.65 74.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.443 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 58.3 p30 -89.76 -10.58 45.04 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.937 -179.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 66.13 25.1 72.14 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.684 -0.966 . . . . 0.0 110.684 179.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 83.0 p -55.77 -27.5 51.23 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.649 -179.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 70' ' ' GLY . . . . . 0.617 ' C ' HG21 ' C' ' 61' ' ' ILE . . . 101.06 2.4 54.79 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 179.509 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 56.9 p -137.04 162.24 33.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.62 0.248 . . . . 0.0 110.601 179.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 90.6 t -119.43 126.24 75.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.605 179.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -105.78 -169.64 1.62 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.713 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -59.79 -48.95 79.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.681 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -62.27 -51.03 69.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.926 0.393 . . . . 0.0 110.717 -179.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -64.45 -35.16 80.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.417 178.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -56.81 -47.66 79.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.316 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 74.0 mt -62.48 -39.08 92.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.552 178.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 72.3 t -65.27 -41.23 90.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.782 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 67.8 ttp -62.63 -40.48 97.12 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.369 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 6.8 mmt -67.06 -45.13 78.28 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.769 -179.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 72.7 t -68.13 -39.77 81.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.506 179.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -59.23 -44.88 92.31 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.472 -179.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 84' ' ' CYS . . . . . . . . . . . . . 97.3 m -63.13 -42.32 99.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.567 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 85.8 mtp -65.15 -42.12 94.06 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.738 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 2.8 mmtp . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.001 179.859 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.889 0.376 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 66.0 mtt -65.58 -40.34 92.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.496 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' I' I ' 154' ' ' MET . . . . . . . . . . . . . 21.8 mmt -61.81 -42.54 99.14 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.562 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 24.4 tm0? -66.79 -41.7 87.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.839 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.792 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.748 0.309 . . . . 0.0 110.369 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.8 -41.13 99.14 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.328 -179.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . 0.554 HG22 HG21 ' C' ' 82' ' ' VAL . 61.9 t -66.65 -41.85 88.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.69 -0.687 . . . . 0.0 111.197 179.749 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -72.76 -32.92 66.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.909 0.385 . . . . 0.0 110.489 -179.27 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 11' ' ' GLN . . . . . 0.435 ' O ' ' C ' ' C' ' 12' ' ' LEU . 6.5 tp-100 -61.85 -24.41 66.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.888 -179.044 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' C' ' 11' ' ' GLN . 1.8 mm? -33.33 145.7 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.877 0.37 . . . . 0.0 111.326 -179.212 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 71.5 p -78.09 160.03 28.32 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -65.4 -39.71 92.52 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.567 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -62.86 -43.61 98.34 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.832 -179.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -65.3 -39.29 92.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.079 0.466 . . . . 0.0 110.276 179.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.45 -38.82 81.47 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.527 179.725 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -63.46 -49.35 74.01 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.295 -0.562 . . . . 0.0 111.535 -179.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -66.63 -37.5 84.98 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.991 0.424 . . . . 0.0 110.597 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . 0.473 ' CD1' ' C ' ' C' ' 20' ' ' PHE . 0.2 OUTLIER -59.07 -51.93 67.93 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.713 179.297 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -54.66 -42.45 71.32 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.744 -0.383 . . . . 0.0 110.274 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.66 -41.58 97.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.144 0.497 . . . . 0.0 110.65 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.23 -39.21 89.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.087 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -61.99 -39.99 94.09 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.105 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -61.06 -39.25 89.15 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.543 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 1.4 mp -77.46 -38.26 26.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.942 0.401 . . . . 0.0 110.304 179.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.15 -36.58 73.22 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.791 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 23.6 m -83.79 23.05 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.845 -179.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 29' ' ' LEU . . . . . 0.434 HD12 ' N ' ' C' ' 30' ' ' GLY . 1.8 pp -44.03 -43.16 6.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 30' ' ' GLY . . . . . 0.434 ' N ' HD12 ' C' ' 29' ' ' LEU . . . -99.88 -26.85 8.2 Favored Glycine 0 CA--C 1.526 0.744 0 C-N-CA 120.992 -0.623 . . . . 0.0 111.637 -179.246 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 31' ' ' ALA . . . . . 0.491 ' N ' ' OE2' ' C' ' 40' ' ' GLU . . . -80.6 99.71 8.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.038 0.447 . . . . 0.0 110.638 -179.58 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -65.98 -34.73 78.78 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.246 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 57.6 p-10 -72.06 -13.09 61.5 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.832 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.62 20.27 56.64 Favored Glycine 0 CA--C 1.526 0.765 0 C-N-CA 120.519 -0.848 . . . . 0.0 111.445 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 35' ' ' CYS . . . . . 0.445 ' O ' ' CB ' ' C' ' 31' ' ' ALA . 79.7 m -110.74 139.98 45.54 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.702 0.287 . . . . 0.0 110.581 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 10.3 mm -95.22 133.29 36.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.845 0.355 . . . . 0.0 110.21 -179.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 22.8 t -134.29 -174.13 3.47 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.424 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 75.6 p -64.88 -25.57 67.95 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.193 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.19 -50.7 72.05 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.506 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 40' ' ' GLU . . . . . 0.491 ' OE2' ' N ' ' C' ' 31' ' ' ALA . 96.1 mt-10 -71.93 -37.08 70.09 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.423 0.63 . . . . 0.0 111.05 179.14 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 9.6 tp -56.87 -27.83 60.95 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.22 -179.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.07 -40.88 97.69 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -68.49 -38.82 81.34 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 121.218 0.532 . . . . 0.0 109.801 179.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 65.7 t -59.85 -44.3 93.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.072 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 23.5 mmt -62.12 -39.09 91.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.625 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.14 -42.27 94.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.453 -179.549 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 77.5 mtm -65.25 -36.44 84.12 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.189 0.519 . . . . 0.0 110.408 179.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 98.1 mt -72.42 -5.97 40.29 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.544 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.72 23.91 66.07 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -121.32 140.5 52.0 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.948 0.404 . . . . 0.0 110.532 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 61.6 t-20 -135.33 69.57 68.47 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.691 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -78.1 -167.95 0.55 Allowed 'Trans proline' 0 C--N 1.304 -1.803 0 C-N-CA 123.035 2.49 . . . . 0.0 112.154 179.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 3.3 p -98.8 152.71 37.95 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.388 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -48.77 -36.2 32.6 Favored 'Trans proline' 0 N--CA 1.498 1.744 0 C-N-CA 122.223 1.949 . . . . 0.0 112.444 179.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -58.32 -35.26 71.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.191 0.52 . . . . 0.0 110.832 -179.402 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 74.1 mt-10 -70.57 -39.82 73.69 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.025 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 57' ' ' LEU . . . . . 0.454 HD12 ' N ' ' C' ' 57' ' ' LEU . 11.2 mp -59.66 -43.44 93.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.639 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -64.33 -43.62 94.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.787 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 59' ' ' GLU . . . . . 0.431 ' O ' ' OD1' ' C' ' 62' ' ' ASP . 98.3 mt-10 -64.2 -39.16 93.39 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.728 179.577 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 60' ' ' MET . . . . . 0.464 ' SD ' ' O ' ' C' ' 60' ' ' MET . 0.0 OUTLIER -57.77 -44.61 86.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.263 -179.129 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 97.0 mt -69.29 -42.21 81.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.844 179.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 62' ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' C' ' 59' ' ' GLU . 0.0 OUTLIER -55.17 -29.67 58.3 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.057 -178.934 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -62.45 -41.58 98.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.968 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 64' ' ' VAL . . . . . 0.468 HG23 ' NH1' ' C' ' 83' ' ' ARG . 7.3 p -95.61 -31.25 4.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.857 0.36 . . . . 0.0 111.626 -179.608 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 65' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -69.07 115.61 8.57 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.04 0.448 . . . . 0.0 110.577 -178.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -81.47 -16.76 50.96 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.795 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -95.28 -13.38 24.89 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.599 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 69.11 13.73 67.43 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 179.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 91.9 p -64.11 -20.38 65.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.727 0.299 . . . . 0.0 110.818 -179.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 82.59 6.88 88.17 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 60.3 p -129.96 160.28 34.11 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.898 0.38 . . . . 0.0 110.591 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 57.4 t -122.16 123.0 67.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.658 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 73' ' ' ASP . . . . . 0.478 ' OD1' ' N ' ' C' ' 76' ' ' GLU . 51.2 p30 -90.31 -171.21 3.02 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.691 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -59.71 -48.94 79.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.099 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 75' ' ' ASP . . . . . 0.655 ' O ' HG13 ' C' ' 79' ' ' VAL . 45.9 m-20 -65.88 -56.1 13.57 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.54 -179.565 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . 0.478 ' N ' ' OD1' ' C' ' 73' ' ' ASP . 59.7 mt-10 -52.13 -29.44 21.91 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.107 0.48 . . . . 0.0 109.819 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -70.03 -43.7 70.77 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 119.834 -0.746 . . . . 0.0 109.768 178.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 33.9 tp -64.98 -45.07 87.21 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.199 -178.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 79' ' ' VAL . . . . . 0.655 HG13 ' O ' ' C' ' 75' ' ' ASP . 1.1 m -66.76 -27.59 40.41 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.269 -178.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 11.5 ttp -67.42 -41.18 85.25 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 81.4 mmm -63.26 -43.84 96.85 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.961 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 82' ' ' VAL . . . . . 0.554 HG21 HG22 ' C' ' 9' ' ' VAL . 93.8 t -66.98 -41.61 87.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.405 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 83' ' ' ARG . . . . . 0.468 ' NH1' HG23 ' C' ' 64' ' ' VAL . 74.3 mtp180 -60.38 -43.14 96.89 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.519 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 84' ' ' CYS . . . . . 0.537 ' SG ' ' N ' ' C' ' 85' ' ' MET . 11.1 p -67.01 -38.8 86.61 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.512 -179.302 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 85' ' ' MET . . . . . 0.537 ' N ' ' SG ' ' C' ' 84' ' ' CYS . 97.7 mtp -65.63 -41.38 92.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.714 179.448 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.515 -179.668 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.249 0 CA-C-O 120.839 0.352 . . . . 0.0 110.423 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 10.8 mtm -59.97 -41.43 91.94 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.711 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' I' I ' 154' ' ' MET . . . . . . . . . . . . . 64.8 mtt -65.93 -37.91 87.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.596 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -60.69 -43.79 97.31 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.416 0 CA-C-O 120.871 0.367 . . . . 0.0 110.656 179.786 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.444 0.164 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.06 -43.89 98.2 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.292 -0.563 . . . . 0.0 110.201 -179.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 53.6 t -64.12 -48.49 85.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.308 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -65.65 -33.11 75.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.709 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -61.34 -27.01 68.19 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.646 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 91.2 mt -53.59 135.64 40.08 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.24 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 13' ' ' THR . . . . . 0.457 ' OG1' ' OE1' ' C' ' 16' ' ' GLN . 70.6 p -78.34 170.9 15.88 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.541 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 58.5 mp0 -60.35 -38.99 85.56 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.681 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -65.11 -43.92 90.43 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.628 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 16' ' ' GLN . . . . . 0.463 ' OE1' ' N ' ' C' ' 16' ' ' GLN . 2.4 mp0 -61.31 -42.93 99.49 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.177 179.47 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 24.1 mmtt -61.81 -41.07 97.29 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.418 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -64.93 -39.46 93.55 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 120.09 -0.644 . . . . 0.0 110.626 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -63.63 -43.88 95.55 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.318 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -67.72 -41.02 84.15 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.172 0.51 . . . . 0.0 110.318 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 56.3 tttp -60.52 -41.56 94.67 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.606 179.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . 0.575 ' O ' HD12 ' C' ' 26' ' ' ILE . . . -60.43 -44.3 95.92 Favored 'General case' 0 C--O 1.221 -0.402 0 C-N-CA 120.131 -0.628 . . . . 0.0 109.982 179.448 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.42 -38.3 90.62 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.047 0.451 . . . . 0.0 110.433 179.186 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -60.63 -35.17 75.51 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.401 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -59.64 -37.88 79.87 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.146 -179.075 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 26' ' ' ILE . . . . . 0.575 HD12 ' O ' ' C' ' 22' ' ' ALA . 4.1 mp -82.09 -40.46 17.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.546 179.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 27' ' ' PHE . . . . . 0.565 ' HB3' HD11 ' C' ' 36' ' ' ILE . 1.4 m-85 -54.8 -38.0 66.77 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.318 -0.553 . . . . 0.0 111.391 -179.542 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . 0.502 ' HB ' ' HB3' ' C' ' 31' ' ' ALA . 31.6 m -75.11 21.07 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.351 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 29' ' ' LEU . . . . . 0.487 ' H ' ' C ' ' C' ' 27' ' ' PHE . 1.0 OUTLIER -46.55 107.56 0.11 Allowed 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 121.409 0.623 . . . . 0.0 109.746 179.309 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 99.01 -20.98 48.1 Favored Glycine 0 CA--C 1.524 0.62 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.914 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 31' ' ' ALA . . . . . 0.502 ' HB3' ' HB ' ' C' ' 28' ' ' VAL . . . -87.34 91.92 8.89 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 120.224 -0.591 . . . . 0.0 109.851 179.22 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 58.6 mp0 -61.96 -34.55 76.34 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.19 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -67.3 -17.73 64.89 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.425 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.02 13.92 70.65 Favored Glycine 0 CA--C 1.52 0.397 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 35' ' ' CYS . . . . . . . . . . . . . 73.8 m -117.62 143.28 46.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.862 0.363 . . . . 0.0 110.685 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . 0.565 HD11 ' HB3' ' C' ' 27' ' ' PHE . 90.4 mt -101.37 130.11 51.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.222 0.534 . . . . 0.0 110.897 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 80.1 p -125.81 -169.73 2.06 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.166 -0.924 . . . . 0.0 109.605 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 71.5 p -63.49 -22.91 67.16 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.341 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 8.8 tptm -69.39 -61.25 1.86 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.027 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -63.64 -42.24 98.16 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.175 0.512 . . . . 0.0 110.639 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 25.4 tp -63.9 -38.27 90.47 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.051 -179.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.57 -38.65 96.18 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.47 -1.052 . . . . 0.0 110.47 179.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.08 -40.11 96.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.331 0.586 . . . . 0.0 109.899 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 64.6 t -62.59 -44.94 99.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.265 179.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 9.5 mmt -60.95 -39.1 88.21 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.361 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 -58.85 -43.32 90.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.296 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 59.5 ttp -60.7 -38.84 86.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.124 0.488 . . . . 0.0 110.156 179.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 96.6 mt -71.01 -9.83 58.7 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.979 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 93.86 9.21 59.95 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.211 -0.755 . . . . 0.0 111.211 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -111.36 134.26 53.08 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.835 0.35 . . . . 0.0 110.318 179.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -133.33 75.64 69.9 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.871 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -64.82 -153.63 0.02 OUTLIER 'Trans proline' 0 C--N 1.296 -2.193 0 C-N-CA 122.484 2.123 . . . . 0.0 111.865 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 37.1 p -126.52 155.8 74.01 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.424 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -51.05 -39.83 59.9 Favored 'Trans proline' 0 N--CA 1.497 1.679 0 C-N-CA 121.78 1.653 . . . . 0.0 113.03 179.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -62.5 -44.66 95.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.486 0.66 . . . . 0.0 110.704 -178.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -66.99 -42.69 84.62 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.891 -1.05 . . . . 0.0 110.557 -179.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 95.2 mt -64.04 -39.09 93.32 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.371 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -63.32 -41.31 98.9 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.711 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -64.01 -39.62 94.53 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.68 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 28.3 ttt -59.37 -46.07 89.67 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 120.848 0.356 . . . . 0.0 110.399 -179.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 61' ' ' ILE . . . . . 0.44 HG21 ' C ' ' C' ' 70' ' ' GLY . 95.7 mt -64.83 -39.56 86.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.163 0.506 . . . . 0.0 110.645 179.52 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -59.04 -37.65 77.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.925 -179.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -59.89 -28.97 68.02 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.306 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 30.3 m -112.95 1.64 8.64 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 N-CA-C 112.181 0.438 . . . . 0.0 112.181 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 65' ' ' ASP . . . . . 0.51 ' OD1' ' N ' ' C' ' 68' ' ' GLY . 40.4 t0 -95.27 104.05 15.93 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 119.975 -0.69 . . . . 0.0 111.036 -179.234 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -65.09 -41.54 94.92 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.054 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 67' ' ' ASP . . . . . 0.437 ' OD1' ' OD1' ' C' ' 65' ' ' ASP . 2.5 p30 -84.49 -10.51 57.4 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.832 -179.308 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 68' ' ' GLY . . . . . 0.51 ' N ' ' OD1' ' C' ' 65' ' ' ASP . . . 71.71 13.82 75.1 Favored Glycine 0 CA--C 1.526 0.719 0 C-N-CA 120.589 -0.815 . . . . 0.0 111.085 179.173 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 93.8 p -62.29 -21.01 64.9 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.58 0.215 . . . . 0.0 111.58 -179.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 70' ' ' GLY . . . . . 0.44 ' N ' ' OD2' ' C' ' 65' ' ' ASP . . . 84.96 11.56 76.3 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 110.6 -1.0 . . . . 0.0 110.6 -179.614 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 59.5 p -133.29 161.17 35.2 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.686 0.279 . . . . 0.0 110.67 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 72.9 t -110.53 125.86 67.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.618 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -102.81 -179.22 3.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.64 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 74' ' ' PHE . . . . . 0.497 ' CE2' HD11 ' C' ' 78' ' ' LEU . 88.3 t80 -58.48 -47.46 83.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.624 -179.62 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -61.6 -47.67 84.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.533 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -64.74 -37.28 87.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.126 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -57.45 -47.46 81.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.503 179.184 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 78' ' ' LEU . . . . . 0.546 ' O ' HG23 ' C' ' 82' ' ' VAL . 96.8 mt -61.89 -40.67 96.22 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.587 -179.704 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 72.5 t -65.18 -42.44 94.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.523 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 65.4 ttp -63.07 -37.85 88.85 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-O 121.543 0.687 . . . . 0.0 109.813 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 81' ' ' MET . . . . . 0.456 ' O ' ' SD ' ' C' ' 81' ' ' MET . 0.0 OUTLIER -72.02 -41.88 67.02 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.92 -179.098 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 82' ' ' VAL . . . . . 0.546 HG23 ' O ' ' C' ' 78' ' ' LEU . 64.8 t -62.36 -48.02 90.28 Favored 'Isoleucine or valine' 0 C--O 1.238 0.447 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.419 -179.217 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 42.8 ptt85 -67.7 -32.93 73.91 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.401 -0.519 . . . . 0.0 110.055 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 84' ' ' CYS . . . . . . . . . . . . . 52.8 t -60.93 -46.32 91.14 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.347 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 16.6 tpt -60.93 -43.99 97.83 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.093 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 68.2 mttm . . . . . 0 N--CA 1.463 0.218 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.191 179.139 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.633 0.254 . . . . 0.0 110.364 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 22.5 mmt -63.58 -42.06 98.32 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.691 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' I' I ' 154' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.41 -43.09 95.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.685 -179.434 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -65.4 -41.07 94.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.497 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.975 179.998 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.186 0 CA-C-O 120.609 0.243 . . . . 0.0 110.567 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.35 -40.63 94.99 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.308 -179.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . 0.419 HG22 HG21 ' C' ' 82' ' ' VAL . 54.3 t -68.16 -46.26 81.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.825 179.255 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -66.09 -25.48 67.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.427 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -61.52 -32.32 72.37 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.564 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . 0.632 HD12 HE21 ' C' ' 16' ' ' GLN . 4.4 mm? -47.34 134.02 11.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.836 0.35 . . . . 0.0 110.692 -179.545 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 63.7 p -86.33 162.76 18.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.873 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 14' ' ' GLU . . . . . 0.531 ' O ' ' ND2' ' C' ' 18' ' ' ASN . 57.8 mp0 -61.76 -39.78 92.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.581 179.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -63.9 -44.87 91.67 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.412 179.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 16' ' ' GLN . . . . . 0.632 HE21 HD12 ' C' ' 12' ' ' LEU . 0.4 OUTLIER -63.69 -42.08 98.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.029 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -64.75 -39.89 94.38 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.59 179.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 18' ' ' ASN . . . . . 0.531 ' ND2' ' O ' ' C' ' 14' ' ' GLU . 53.6 m-80 -61.6 -40.34 94.47 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 120.571 -0.452 . . . . 0.0 111.007 -179.698 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -65.18 -39.9 93.52 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.476 179.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . 0.618 ' CD2' HD21 ' C' ' 78' ' ' LEU . 0.0 OUTLIER -64.55 -44.51 90.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.886 179.287 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 19.5 mtpp -58.77 -38.51 78.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.145 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.33 -44.4 97.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.828 0.347 . . . . 0.0 110.201 179.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.93 -39.79 94.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.454 178.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 24' ' ' PHE . . . . . 0.642 ' CE2' ' CZ ' ' C' ' 74' ' ' PHE . 53.8 t80 -61.07 -43.58 98.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.28 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -60.04 -39.67 86.72 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.116 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 97.3 mt -70.9 -43.45 76.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.622 0.249 . . . . 0.0 110.408 178.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 27' ' ' PHE . . . . . 0.488 ' CE1' HG21 ' C' ' 44' ' ' VAL . 0.2 OUTLIER -50.45 -43.61 55.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.889 0.376 . . . . 0.0 110.861 -179.608 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . 0.611 ' HB ' ' HB3' ' C' ' 31' ' ' ALA . 31.0 m -76.13 26.99 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.957 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 29' ' ' LEU . . . . . 0.454 ' H ' ' C ' ' C' ' 27' ' ' PHE . 0.8 OUTLIER -49.65 101.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.222 0.534 . . . . 0.0 110.642 179.707 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 100.15 -16.92 57.76 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 31' ' ' ALA . . . . . 0.611 ' HB3' ' HB ' ' C' ' 28' ' ' VAL . . . -84.61 95.25 8.82 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 120.879 0.371 . . . . 0.0 110.286 179.618 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.63 -26.08 67.66 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.702 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -68.8 -21.0 64.35 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.488 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.81 13.45 83.11 Favored Glycine 0 CA--C 1.521 0.417 0 N-CA-C 110.675 -0.97 . . . . 0.0 110.675 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 35' ' ' CYS . . . . . . . . . . . . . 74.5 m -112.53 144.94 41.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.766 0.317 . . . . 0.0 110.538 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 78.8 mt -102.64 118.29 49.3 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.155 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.227 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 15.9 p -121.95 -169.96 1.97 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.451 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 76.8 p -62.94 -31.57 72.69 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.244 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 34.8 mtpt -65.72 -44.03 87.29 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.663 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 40' ' ' GLU . . . . . 0.443 ' OE1' ' N ' ' C' ' 40' ' ' GLU . 60.9 mp0 -72.15 -40.7 67.84 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.271 0.557 . . . . 0.0 110.668 179.375 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.18 -29.9 70.77 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.375 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.99 -42.29 98.28 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 57.2 mmtt -68.41 -40.37 81.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.88 0.371 . . . . 0.0 110.281 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 44' ' ' VAL . . . . . 0.488 HG21 ' CE1' ' C' ' 27' ' ' PHE . 79.2 t -63.85 -42.5 96.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.265 179.496 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 16.8 mmt -61.48 -39.67 91.76 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.447 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 42.5 tpt85 -59.88 -41.08 90.79 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.017 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 60.5 ttm -60.81 -39.44 89.0 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.046 0.451 . . . . 0.0 110.255 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 96.9 mt -70.98 -14.58 62.4 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.47 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 94.0 13.69 53.99 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 94.5 mm-40 -110.97 137.25 48.83 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.969 0.414 . . . . 0.0 110.529 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -129.97 74.65 80.38 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.031 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -75.71 -169.56 0.69 Allowed 'Trans proline' 0 C--N 1.308 -1.563 0 C-N-CA 122.848 2.365 . . . . 0.0 112.067 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.57 159.01 34.76 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.075 -179.577 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -49.87 -41.17 47.96 Favored 'Trans proline' 0 N--CA 1.493 1.468 0 C-N-CA 122.392 2.062 . . . . 0.0 112.211 179.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.89 -44.1 97.58 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-O 120.731 0.301 . . . . 0.0 110.863 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.27 -39.64 92.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.398 0.618 . . . . 0.0 109.897 -178.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 95.8 mt -68.1 -36.48 79.84 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.846 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -62.92 -44.12 96.94 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.113 -178.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -72.88 -27.91 62.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.017 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 33.3 mtt -63.52 -47.01 83.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.188 179.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 92.2 mt -68.02 -42.09 85.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.696 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 62' ' ' ASP . . . . . 0.437 ' OD1' ' O ' ' C' ' 62' ' ' ASP . 61.9 t0 -60.69 -35.63 76.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.662 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -49.47 -26.56 3.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -178.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 15.7 m -118.7 -30.3 1.81 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.259 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.187 -179.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 65' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -70.9 113.6 8.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.957 0.408 . . . . 0.0 110.386 -179.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -81.43 -29.7 33.75 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.621 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 67' ' ' ASP . . . . . 0.412 ' OD2' ' OE2' ' C' ' 76' ' ' GLU . 0.8 OUTLIER -81.28 -14.81 56.99 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.918 -179.801 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 66.4 18.75 67.93 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 179.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 88.8 p -62.05 -19.01 62.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.873 0.368 . . . . 0.0 110.736 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.17 5.09 87.78 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.74 -0.944 . . . . 0.0 110.74 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 70.3 p -135.53 159.95 40.01 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 121.161 -0.216 . . . . 0.0 110.482 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 27.1 t -114.73 126.99 72.43 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.017 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 73' ' ' ASP . . . . . 0.478 ' CG ' ' H ' ' C' ' 74' ' ' PHE . 23.2 t0 -99.42 -172.59 2.29 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.678 179.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 74' ' ' PHE . . . . . 0.642 ' CZ ' ' CE2' ' C' ' 24' ' ' PHE . 71.0 m-85 -63.86 -46.7 83.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.01 -179.752 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -68.69 -42.8 77.3 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.982 0.42 . . . . 0.0 111.005 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . 0.444 ' HB2' ' H ' ' C' ' 73' ' ' ASP . 89.3 mt-10 -63.43 -39.2 93.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.618 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -62.61 -43.48 98.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.225 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 78' ' ' LEU . . . . . 0.618 HD21 ' CD2' ' C' ' 20' ' ' PHE . 85.9 mt -60.71 -39.03 87.06 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.461 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 78.5 t -61.7 -44.44 98.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.023 -179.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 80' ' ' MET . . . . . 0.439 ' C ' ' SD ' ' C' ' 80' ' ' MET . 19.5 tmm? -65.23 -40.09 93.61 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.239 0.542 . . . . 0.0 110.454 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 35.1 ttm -64.79 -44.07 91.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.245 -179.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 82' ' ' VAL . . . . . 0.45 HG23 ' O ' ' C' ' 78' ' ' LEU . 52.9 t -59.61 -44.5 93.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.352 -179.526 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 76.0 mtp85 -63.74 -45.81 88.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.964 0.411 . . . . 0.0 110.662 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 84' ' ' CYS . . . . . . . . . . . . . 90.7 m -65.41 -38.95 91.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.909 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 12.6 tpt -58.86 -39.66 81.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.39 -178.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 67.7 mttm . . . . . 0 C--O 1.233 0.197 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.15 179.801 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.676 0.274 . . . . 0.0 110.52 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 64.4 mtt -60.51 -45.41 93.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.661 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' I' I ' 154' ' ' MET . . . . . . . . . . . . . 77.7 mtm -66.07 -40.65 91.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.745 179.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -63.45 -43.53 97.11 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.914 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.608 -179.183 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.21 0 CA-C-O 120.725 0.298 . . . . 0.0 110.586 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.75 -39.26 84.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.212 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 58.2 t -65.74 -45.94 90.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.14 179.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -73.58 -33.06 64.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.952 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -61.86 -38.07 86.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.58 -179.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 mp -39.63 143.06 0.25 Allowed 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 120.884 0.373 . . . . 0.0 110.729 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 80.8 p -74.96 164.76 26.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.952 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -61.17 -39.17 89.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.593 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -64.46 -42.28 96.04 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.436 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -62.3 -38.32 88.94 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.281 -0.418 . . . . 0.0 109.996 -179.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -68.83 -36.46 78.22 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.266 179.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -62.02 -48.73 79.0 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 120.639 -0.424 . . . . 0.0 111.374 -179.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -64.76 -37.33 87.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.815 179.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . 0.454 ' CG ' HD21 ' C' ' 78' ' ' LEU . 0.0 OUTLIER -58.25 -49.28 77.65 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.698 179.333 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -60.17 -44.07 95.32 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.391 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.99 -40.2 94.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.508 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.56 -41.28 97.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.709 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 24' ' ' PHE . . . . . 0.639 ' CD1' ' CZ ' ' C' ' 74' ' ' PHE . 48.2 t80 -61.12 -43.78 98.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.403 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -60.06 -41.52 92.52 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.538 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 95.0 mt -66.57 -40.7 86.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 CA-C-O 120.978 0.418 . . . . 0.0 110.558 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -59.37 -40.43 86.45 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . 0.554 ' HB ' ' HB3' ' C' ' 31' ' ' ALA . 28.2 m -87.09 31.94 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.019 -179.765 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 2.4 pp -52.64 -38.85 61.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . -113.63 27.35 9.37 Favored Glycine 0 C--N 1.331 0.281 0 N-CA-C 111.863 -0.495 . . . . 0.0 111.863 -178.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 31' ' ' ALA . . . . . 0.554 ' HB3' ' HB ' ' C' ' 28' ' ' VAL . . . -119.92 102.79 8.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.856 0.36 . . . . 0.0 110.523 179.718 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -66.21 -37.6 85.96 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.905 179.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -66.97 -19.14 65.67 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.468 -179.282 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.64 10.6 81.27 Favored Glycine 0 CA--C 1.519 0.337 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 35' ' ' CYS . . . . . . . . . . . . . 77.3 m -109.14 150.56 27.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.702 0.287 . . . . 0.0 110.584 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 92.9 mt -96.9 120.14 45.86 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.343 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 77.9 p -122.91 -168.09 1.7 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.516 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 61.4 p -61.99 -39.2 91.4 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.277 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -64.37 -43.58 94.07 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.737 179.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 40' ' ' GLU . . . . . 0.508 ' CD ' ' HB2' ' C' ' 31' ' ' ALA . 79.7 mm-40 -66.77 -41.32 87.89 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 120.96 0.409 . . . . 0.0 110.561 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 11.9 mt -67.63 -37.5 82.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.708 179.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.64 -41.25 97.29 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 110.637 -0.985 . . . . 0.0 110.637 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.2 -40.15 86.42 Favored 'General case' 0 N--CA 1.44 -0.95 0 C-N-CA 120.701 -0.399 . . . . 0.0 110.333 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 58.9 t -64.25 -42.39 95.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.347 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 18.1 mmt -60.18 -34.62 73.85 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.364 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 51.1 ttm-85 -54.11 -37.29 64.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.763 -179.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 99.1 mtp -63.81 -39.08 93.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.065 0.459 . . . . 0.0 110.528 179.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 99.5 mt -67.45 -27.87 67.4 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.473 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.84 25.98 6.96 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -120.2 141.44 49.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.811 0.339 . . . . 0.0 110.719 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 -132.01 69.64 80.69 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.275 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -75.33 -167.41 0.43 Allowed 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 123.083 2.522 . . . . 0.0 112.206 -179.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 16.6 p -106.33 152.83 40.66 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.811 -179.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -60.5 -31.37 92.36 Favored 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.355 2.037 . . . . 0.0 112.219 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -64.0 -41.24 97.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.157 0.504 . . . . 0.0 110.026 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -66.22 -41.58 89.89 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.108 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 63.7 mt -64.88 -37.91 89.2 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.292 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -60.92 -44.62 96.94 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.499 -179.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -67.53 -37.85 83.37 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.52 179.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 28.4 ttt -59.7 -45.26 92.67 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.332 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 61' ' ' ILE . . . . . 0.51 HG21 ' C ' ' C' ' 70' ' ' GLY . 96.0 mt -63.85 -41.47 92.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.466 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -59.44 -41.95 90.78 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.759 -179.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -66.36 -42.23 88.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.842 0.353 . . . . 0.0 110.345 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 96.7 t -77.48 -32.64 18.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.789 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 65' ' ' ASP . . . . . 0.545 ' OD2' ' N ' ' C' ' 69' ' ' SER . 59.5 t0 -83.93 111.41 19.22 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.514 -179.542 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -65.69 -37.9 87.74 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.616 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.64 -11.43 51.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 -179.488 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.76 20.15 73.94 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 69' ' ' SER . . . . . 0.545 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 41.1 m -49.66 -27.71 5.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.828 0.347 . . . . 0.0 110.268 -179.518 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 70' ' ' GLY . . . . . 0.51 ' C ' HG21 ' C' ' 61' ' ' ILE . . . 96.82 -7.12 64.99 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 179.728 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 66.2 p -140.39 163.27 33.24 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.704 0.288 . . . . 0.0 110.612 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 56.0 t -111.24 123.21 66.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.531 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 73' ' ' ASP . . . . . 0.437 ' H ' ' HB2' ' C' ' 76' ' ' GLU . 16.6 t0 -96.63 -170.58 2.09 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.686 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 74' ' ' PHE . . . . . 0.639 ' CZ ' ' CD1' ' C' ' 24' ' ' PHE . 64.7 m-85 -60.5 -49.92 75.61 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.125 -179.673 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -63.36 -45.18 92.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.128 0.489 . . . . 0.0 110.867 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . 0.437 ' HB2' ' H ' ' C' ' 73' ' ' ASP . 50.6 mt-10 -64.43 -36.35 83.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.566 178.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -58.53 -47.05 85.45 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 78' ' ' LEU . . . . . 0.454 HD21 ' CG ' ' C' ' 20' ' ' PHE . 87.7 mt -62.32 -38.34 89.07 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.339 -0.544 . . . . 0.0 110.546 179.535 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 78.9 t -64.62 -42.25 94.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.823 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 2.0 ptt? -62.79 -30.81 71.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.982 -178.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 1.9 mtp -68.16 -53.42 25.25 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.447 -179.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 74.7 t -66.41 -42.96 91.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.652 179.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -62.05 -40.63 96.39 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.667 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 84' ' ' CYS . . . . . . . . . . . . . 42.9 t -57.31 -46.7 82.93 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.209 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 82.6 mmm -63.07 -41.91 99.56 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.443 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 64.3 tttm . . . . . 0 N--CA 1.451 -0.407 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.648 179.739 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.698 0.285 . . . . 0.0 110.564 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 72.8 mtp -67.35 -40.14 85.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.26 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' I' I ' 154' ' ' MET . . . . . . . . . . . . . 8.4 mmt -63.34 -41.81 98.9 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.787 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -63.15 -39.56 95.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.419 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.475 179.817 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.197 0 CA-C-O 120.63 0.253 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.7 -43.6 97.57 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.259 -179.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 53.1 t -63.63 -47.48 91.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.865 179.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -67.06 -29.09 68.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.536 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 9.6 tp-100 -61.81 -27.5 68.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.521 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 95.7 mt -55.16 133.66 49.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.117 0.484 . . . . 0.0 110.711 -179.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 82.1 p -80.48 166.99 20.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.65 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 14' ' ' GLU . . . . . 0.44 ' H ' ' CD ' ' C' ' 14' ' ' GLU . 43.5 mp0 -62.93 -39.24 93.98 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.389 -179.391 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -67.92 -41.29 82.85 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.875 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 26.6 mm100 -63.52 -40.79 97.96 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.138 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 19.3 mtpp -63.91 -39.78 94.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.515 179.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -63.35 -39.9 95.8 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.057 -0.657 . . . . 0.0 111.109 179.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -61.86 -40.17 94.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.596 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . 0.865 ' CE2' HD21 ' C' ' 78' ' ' LEU . 0.0 OUTLIER -74.24 -41.03 61.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.806 179.56 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.46 -42.54 70.75 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.285 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.01 -40.91 95.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.008 0.432 . . . . 0.0 110.049 179.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.45 -39.76 94.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.355 179.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -58.9 -46.99 86.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.231 -179.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 25' ' ' ASP . . . . . 0.435 ' O ' HG22 ' C' ' 28' ' ' VAL . 96.7 m-20 -62.21 -35.0 77.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.095 179.607 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 26' ' ' ILE . . . . . 0.424 ' O ' HD23 ' C' ' 29' ' ' LEU . 94.5 mt -75.84 -37.84 35.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.827 179.02 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 27' ' ' PHE . . . . . 0.431 ' C ' ' H ' ' C' ' 29' ' ' LEU . 1.4 m-85 -59.56 -37.42 78.39 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.41 -179.567 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . 0.435 HG22 ' O ' ' C' ' 25' ' ' ASP . 26.4 m -72.06 13.96 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.994 -179.269 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 29' ' ' LEU . . . . . 0.431 ' H ' ' C ' ' C' ' 27' ' ' PHE . 2.8 pp -50.47 -38.86 46.1 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.724 179.582 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 30' ' ' GLY . . . . . 0.426 ' N ' HD12 ' C' ' 29' ' ' LEU . . . -85.35 -1.46 88.06 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 -179.089 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 31' ' ' ALA . . . . . 0.439 ' CB ' ' O ' ' C' ' 35' ' ' CYS . . . -128.39 102.36 6.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.92 0.39 . . . . 0.0 110.35 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 25.6 pt-20 -65.44 -19.83 66.1 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.271 0.558 . . . . 0.0 110.981 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.21 -15.74 63.7 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.679 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.73 12.65 71.53 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 35' ' ' CYS . . . . . 0.439 ' O ' ' CB ' ' C' ' 31' ' ' ALA . 72.8 m -125.79 153.6 43.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.863 0.363 . . . . 0.0 110.729 179.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 96.8 mt -94.87 127.14 47.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.625 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 94.2 p -142.12 -169.27 2.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.465 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 59.3 p -59.28 -36.74 76.12 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.288 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -62.95 -43.69 98.11 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.687 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -68.33 -41.31 80.99 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.308 0.575 . . . . 0.0 110.731 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.39 -28.12 69.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.2 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.87 -39.87 97.49 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.715 -0.954 . . . . 0.0 110.715 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.44 -41.15 69.83 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-O 121.012 0.434 . . . . 0.0 110.41 179.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 74.7 t -63.56 -45.73 96.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.667 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 8.0 mmt -62.25 -40.67 96.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.83 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -60.96 -41.37 96.23 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.502 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 28.2 ttt -60.2 -39.98 88.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.681 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 96.7 mt -73.46 -6.87 49.13 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.577 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 91.37 11.45 60.99 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -97.39 142.96 28.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.988 0.423 . . . . 0.0 110.503 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -130.34 67.99 80.7 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.569 179.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -74.5 -169.04 0.54 Allowed 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.796 2.331 . . . . 0.0 111.928 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.37 158.03 75.6 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.454 -179.633 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -49.59 -25.4 10.91 Favored 'Trans proline' 0 N--CA 1.492 1.388 0 C-N-CA 122.084 1.856 . . . . 0.0 112.477 179.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -65.56 -51.65 58.24 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.112 0.482 . . . . 0.0 111.365 -178.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.68 -33.44 53.27 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.947 -179.068 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 54.5 mt -64.66 -42.95 95.04 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.063 0.459 . . . . 0.0 110.576 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 58' ' ' GLN . . . . . 0.479 HE22 ' CA ' ' C' ' 70' ' ' GLY . 71.9 tp60 -66.91 -44.23 81.3 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.588 179.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -62.85 -37.37 86.57 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.711 -179.197 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 60.4 ttm -60.54 -48.12 83.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.338 0.589 . . . . 0.0 110.525 -179.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 61' ' ' ILE . . . . . 0.555 HG21 ' C ' ' C' ' 70' ' ' GLY . 95.3 mt -62.99 -38.85 83.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.335 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 62' ' ' ASP . . . . . 0.441 ' OD2' ' O ' ' C' ' 58' ' ' GLN . 3.7 m-20 -57.89 -41.06 81.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.523 -179.561 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -63.44 -39.82 95.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.919 0.39 . . . . 0.0 110.025 179.277 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 67.5 t -77.07 -32.05 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.51 179.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 65' ' ' ASP . . . . . 0.458 ' OD2' ' O ' ' C' ' 71' ' ' THR . 91.7 m-20 -87.78 120.5 29.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.92 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -68.62 -39.38 80.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.477 179.21 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 57.0 p30 -82.86 -10.77 58.68 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.994 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 67.0 24.02 72.99 Favored Glycine 0 CA--C 1.52 0.398 0 N-CA-C 110.5 -1.04 . . . . 0.0 110.5 179.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 89.7 p -57.89 -31.21 66.51 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.63 -179.371 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 70' ' ' GLY . . . . . 0.555 ' C ' HG21 ' C' ' 61' ' ' ILE . . . 102.29 -1.29 50.38 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 71' ' ' THR . . . . . 0.458 ' O ' ' OD2' ' C' ' 65' ' ' ASP . 38.5 p -130.7 154.95 47.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.707 0.289 . . . . 0.0 110.321 179.68 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 54.2 t -103.65 126.11 58.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.232 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.2 177.75 6.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.634 -179.47 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 74' ' ' PHE . . . . . 0.559 ' CZ ' ' CZ ' ' C' ' 20' ' ' PHE . 16.5 t80 -60.77 -49.62 76.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.558 -178.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -66.15 -40.21 90.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.615 179.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -63.5 -39.33 94.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.327 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -62.6 -42.08 99.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.953 -179.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 78' ' ' LEU . . . . . 0.865 HD21 ' CE2' ' C' ' 20' ' ' PHE . 78.0 mt -61.73 -39.34 91.21 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.831 179.723 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 61.2 t -63.27 -39.61 85.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.279 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -66.67 -35.62 80.58 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.001 0.429 . . . . 0.0 109.929 -178.699 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 68.4 mtp -65.68 -42.82 90.84 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.265 -179.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 72.8 t -65.53 -41.0 89.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.853 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 12.7 mtp85 -56.03 -47.61 77.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.648 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 84' ' ' CYS . . . . . . . . . . . . . 95.6 m -61.59 -39.76 92.38 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.195 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 7.9 mmt -72.2 -41.5 66.89 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.075 -0.511 . . . . 0.0 112.122 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 16.2 mmtp . . . . . 0 N--CA 1.466 0.327 0 CA-C-O 120.828 0.347 . . . . 0.0 111.39 -179.057 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.125 0 CA-C-O 120.748 0.309 . . . . 0.0 110.665 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.67 -48.88 78.27 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.912 -179.516 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' I' I ' 154' ' ' MET . . . . . . . . . . . . . 17.9 mmt -63.59 -39.75 95.19 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.908 179.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -64.48 -39.99 94.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.866 0.365 . . . . 0.0 110.897 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.811 -179.744 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' C' ' 11' ' ' GLN . . . . . . . . 0 N--CA 1.451 -0.395 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.45 -40.09 93.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.199 0.523 . . . . 0.0 110.772 -179.463 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . 0.506 ' O ' HD11 ' C' ' 12' ' ' LEU . 54.2 t -68.3 -32.4 55.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.025 179.448 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -90.2 -27.46 19.52 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.099 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 11' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' C' ' 7' ' ' ALA . 34.5 mt-30 -67.64 -39.67 84.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.971 179.269 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . 0.568 ' O ' HD12 ' C' ' 12' ' ' LEU . 0.7 OUTLIER -46.34 172.26 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.539 0 CA-C-O 121.138 0.494 . . . . 0.0 111.011 -179.402 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 30.8 p -106.82 171.87 7.13 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.5 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.38 -35.07 78.02 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.079 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -61.62 -43.61 98.55 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.51 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -66.08 -39.06 89.73 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.421 0.629 . . . . 0.0 109.895 179.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.72 -27.51 61.23 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.079 179.082 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -69.02 -50.43 48.75 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 120.427 -0.509 . . . . 0.0 111.733 -179.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -64.97 -40.04 94.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.11 0.481 . . . . 0.0 110.151 -179.289 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . 0.59 ' CD1' ' N ' ' C' ' 21' ' ' LYS . 0.1 OUTLIER -60.37 -48.87 79.87 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.373 179.368 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 21' ' ' LYS . . . . . 0.59 ' N ' ' CD1' ' C' ' 20' ' ' PHE . 63.3 tttm -61.02 -43.54 98.74 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.481 179.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.44 -42.57 98.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.743 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.74 -39.83 95.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.671 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 24' ' ' PHE . . . . . 0.403 ' O ' HG22 ' C' ' 28' ' ' VAL . 70.9 t80 -60.33 -44.86 95.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.37 -179.462 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.15 -41.28 96.47 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.856 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 26' ' ' ILE . . . . . 0.49 ' O ' HD23 ' C' ' 29' ' ' LEU . 97.2 mt -68.86 -40.43 81.23 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.305 0 CA-C-O 121.117 0.484 . . . . 0.0 110.696 179.384 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -59.54 -38.32 80.75 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.087 -179.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . 0.531 HG11 ' O ' ' C' ' 34' ' ' GLY . 23.1 m -92.43 32.28 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.047 -179.499 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 29' ' ' LEU . . . . . 0.49 HD23 ' O ' ' C' ' 26' ' ' ILE . 2.7 pp -60.92 -35.95 78.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.771 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . -98.1 -3.73 57.79 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 111.282 -0.727 . . . . 0.0 111.282 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 31' ' ' ALA . . . . . 0.452 ' CB ' ' O ' ' C' ' 35' ' ' CYS . . . -105.89 106.97 17.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.775 0.322 . . . . 0.0 110.34 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -69.86 -32.1 70.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.239 0.542 . . . . 0.0 110.951 -179.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -69.26 -19.74 63.93 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.724 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . 0.531 ' O ' HG11 ' C' ' 28' ' ' VAL . . . 93.09 4.71 64.54 Favored Glycine 0 CA--C 1.521 0.441 0 N-CA-C 110.692 -0.963 . . . . 0.0 110.692 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 35' ' ' CYS . . . . . 0.452 ' O ' ' CB ' ' C' ' 31' ' ' ALA . 19.7 p -93.19 159.18 15.39 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 121.098 -0.241 . . . . 0.0 110.437 179.624 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 73.0 mt -115.76 123.43 71.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 N-CA-C 109.975 -0.379 . . . . 0.0 109.975 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 40.5 p -116.42 -172.05 2.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.18 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 68.8 p -64.85 -25.13 67.77 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.283 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -70.94 -47.79 57.05 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 25.4 mp0 -65.31 -38.94 91.72 Favored 'General case' 0 CA--C 1.522 -0.118 0 CA-C-O 120.784 0.326 . . . . 0.0 110.857 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 14.8 mt -64.03 -12.04 34.83 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.911 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.83 -37.94 93.26 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 43' ' ' LYS . . . . . 0.46 ' N ' ' CD ' ' C' ' 43' ' ' LYS . 2.6 mptp? -65.58 -38.06 88.42 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.958 0.409 . . . . 0.0 110.471 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 72.1 t -62.12 -46.27 96.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.729 -179.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 24.8 mmt -63.31 -39.1 93.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.738 -179.378 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 56.3 ttp180 -59.5 -42.23 91.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.077 0.465 . . . . 0.0 110.074 -179.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 25.2 mmt -63.97 -37.13 86.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.468 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 91.9 mt -78.29 -3.02 40.83 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.571 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.16 25.85 67.74 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -115.03 142.72 46.25 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 121.03 0.443 . . . . 0.0 110.541 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 21.2 p30 -135.65 68.97 66.64 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 115.778 -0.647 . . . . 0.0 111.039 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -75.41 -168.48 0.53 Allowed 'Trans proline' 0 C--N 1.306 -1.705 0 C-N-CA 122.946 2.431 . . . . 0.0 112.026 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 2.5 p -105.15 156.04 36.79 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.377 -179.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -52.18 -36.89 68.6 Favored 'Trans proline' 0 N--CA 1.497 1.69 0 C-N-CA 122.118 1.879 . . . . 0.0 112.229 179.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -64.41 -39.77 94.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.291 0.567 . . . . 0.0 110.579 -179.188 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -65.45 -41.26 93.62 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.377 -179.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 11.7 mt -61.82 -39.36 91.51 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.701 179.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 71.2 tp60 -63.92 -41.87 97.54 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.545 -179.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -65.24 -38.52 90.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.774 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 22.2 mmt -61.15 -42.57 98.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.679 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 61' ' ' ILE . . . . . 0.544 HG21 ' C ' ' C' ' 70' ' ' GLY . 96.2 mt -65.9 -40.3 87.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.647 179.51 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 60.9 t0 -59.66 -44.93 93.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.072 -179.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -63.99 -40.71 96.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.816 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 93.9 t -81.16 -32.28 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 65' ' ' ASP . . . . . 0.517 ' OD2' ' N ' ' C' ' 69' ' ' SER . 68.0 t0 -76.62 118.28 19.1 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.981 -179.557 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -67.18 -40.97 86.63 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.94 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 67' ' ' ASP . . . . . 0.438 ' OD1' ' OD2' ' C' ' 65' ' ' ASP . 2.3 p30 -82.79 -12.74 57.26 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.082 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 66.11 22.8 70.98 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 110.625 -0.99 . . . . 0.0 110.625 179.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 69' ' ' SER . . . . . 0.517 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 90.7 p -60.51 -22.09 63.19 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.743 0.306 . . . . 0.0 110.807 -179.52 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 70' ' ' GLY . . . . . 0.544 ' C ' HG21 ' C' ' 61' ' ' ILE . . . 93.72 -9.22 73.71 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 72.3 p -130.45 159.92 35.61 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 48.4 t -111.66 124.5 68.48 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-O 121.016 0.436 . . . . 0.0 110.137 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 73' ' ' ASP . . . . . 0.447 ' H ' ' HB2' ' C' ' 76' ' ' GLU . 97.8 m-20 -91.81 -178.76 5.13 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.663 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -59.17 -50.27 74.66 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.428 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 75' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' C' ' 76' ' ' GLU . 43.1 p-10 -68.61 -39.16 80.97 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.741 179.699 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . 0.532 ' N ' ' OD1' ' C' ' 75' ' ' ASP . 98.3 mt-10 -64.67 -39.21 93.29 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.962 0.41 . . . . 0.0 110.551 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -62.81 -41.47 99.31 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -179.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 11.4 tp -62.56 -38.32 89.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.014 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 79' ' ' VAL . . . . . 0.465 HG23 ' O ' ' C' ' 75' ' ' ASP . 87.1 t -65.01 -39.82 86.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.627 -179.491 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 16.4 tmm? -63.78 -39.98 95.56 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.639 -179.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 17.3 ttt -61.7 -50.46 72.36 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.506 -179.408 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 66.0 t -67.94 -41.69 84.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.696 179.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 38.6 ttt85 -60.46 -42.09 95.5 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-O 120.903 0.382 . . . . 0.0 110.436 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 84' ' ' CYS . . . . . . . . . . . . . 52.6 t -60.49 -44.56 95.83 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.392 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 3.3 mmt -63.36 -60.54 3.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.329 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.681 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.874 0.368 . . . . 0.0 110.768 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 66.1 mtt -63.27 -41.01 98.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.846 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' I' I ' 154' ' ' MET . . . . . . . . . . . . . 37.5 mmt -63.46 -41.64 98.62 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.33 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -64.75 -40.77 95.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.988 0.423 . . . . 0.0 110.552 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.445 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.487 179.707 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' C' ' 11' ' ' GLN . . . . . . . . 0 N--CA 1.456 -0.16 0 CA-C-O 120.81 0.338 . . . . 0.0 110.723 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.95 -44.59 95.65 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.835 -179.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 77.4 t -70.3 -42.35 78.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.277 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -81.78 -17.04 49.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.691 -179.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 11' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' C' ' 7' ' ' ALA . 4.1 tt0 -128.09 33.13 4.79 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.958 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . 0.63 HD23 ' N ' ' C' ' 12' ' ' LEU . 0.5 OUTLIER -63.45 172.89 1.8 Allowed 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 121.124 0.488 . . . . 0.0 110.889 179.31 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 60.0 p -88.72 159.15 17.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.103 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -68.95 -32.17 71.57 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.511 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -64.57 -40.58 95.8 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.887 179.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -64.22 -39.74 94.61 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.993 178.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -60.81 -40.62 93.43 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.789 179.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -66.13 -45.95 79.25 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 119.993 -0.683 . . . . 0.0 110.503 -179.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -65.3 -40.4 93.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.552 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . 0.46 ' CG ' ' N ' ' C' ' 21' ' ' LYS . 0.0 OUTLIER -58.43 -51.67 68.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.958 179.74 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 21' ' ' LYS . . . . . 0.46 ' N ' ' CG ' ' C' ' 20' ' ' PHE . 0.8 OUTLIER -62.41 -42.58 99.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.379 -179.863 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.9 -42.92 99.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.991 0.424 . . . . 0.0 110.919 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.62 -40.17 96.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.613 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 24' ' ' PHE . . . . . 0.696 ' O ' HG22 ' C' ' 28' ' ' VAL . 32.7 t80 -61.69 -41.04 97.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.035 -179.553 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -62.85 -41.42 99.36 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.738 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 97.9 mt -65.74 -44.06 93.31 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 CA-C-O 120.985 0.422 . . . . 0.0 110.726 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -60.55 -42.13 95.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.079 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . 0.696 HG22 ' O ' ' C' ' 24' ' ' PHE . 25.2 m -91.38 33.47 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.222 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -37.79 83.55 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 O-C-N 123.694 0.621 . . . . 0.0 111.245 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 30' ' ' GLY . . . . . 0.626 ' N ' ' O ' ' C' ' 28' ' ' VAL . . . 56.35 31.81 60.0 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.598 -1.001 . . . . 0.0 110.598 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.52 131.36 45.94 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.596 -179.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -66.28 -29.2 69.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.86 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -85.43 -20.71 29.4 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.889 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 77.23 9.54 86.74 Favored Glycine 0 CA--C 1.521 0.417 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 35' ' ' CYS . . . . . . . . . . . . . 66.8 m -139.95 169.87 16.9 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.811 0.339 . . . . 0.0 110.95 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 4.8 mp -96.3 117.25 40.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.43 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 37' ' ' SER . . . . . 0.411 ' N ' ' OE1' ' C' ' 40' ' ' GLU . 3.7 p -127.73 -168.83 1.95 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.018 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 82.7 p -65.54 -25.34 67.39 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.486 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -76.73 -48.17 19.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.029 0.443 . . . . 0.0 110.522 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 40' ' ' GLU . . . . . 0.411 ' OE1' ' N ' ' C' ' 37' ' ' SER . 61.1 mp0 -63.43 -42.94 98.71 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.279 0.562 . . . . 0.0 110.369 -179.344 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 41' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' C' ' 41' ' ' LEU . 92.7 mt -65.81 -36.04 82.4 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.295 179.491 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.38 -40.48 96.1 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -66.53 -40.75 89.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.021 0.439 . . . . 0.0 110.376 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 64.9 t -67.45 -42.66 87.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.777 179.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 20.0 mmt -59.96 -36.06 76.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.86 -179.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -53.68 -38.64 64.38 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.045 -179.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 73.4 mtm -72.3 -20.78 61.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.97 0.414 . . . . 0.0 110.647 179.445 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 91.4 mt -86.06 -3.2 58.89 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.477 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.59 16.82 72.37 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -116.04 134.56 54.83 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.042 0.448 . . . . 0.0 110.365 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 -132.43 70.12 79.81 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.557 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -75.49 -170.55 0.83 Allowed 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.868 2.379 . . . . 0.0 112.04 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 16.0 p -111.52 151.47 43.31 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.951 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -45.78 -35.37 13.38 Favored 'Trans proline' 0 C--N 1.314 -1.285 0 C-N-CA 122.29 1.993 . . . . 0.0 112.254 179.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -64.59 -42.6 95.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.12 0.486 . . . . 0.0 110.398 -179.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -69.56 -41.26 76.1 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.402 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 57' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' C' ' 57' ' ' LEU . 96.0 mt -64.5 -37.92 89.23 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.196 179.693 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 23.1 tm0? -61.92 -42.95 99.69 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.668 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -63.72 -40.89 97.89 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.478 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 89.9 mmm -61.01 -44.03 98.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.917 0.389 . . . . 0.0 110.321 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 61' ' ' ILE . . . . . 0.582 HG21 ' C ' ' C' ' 70' ' ' GLY . 96.1 mt -65.48 -45.86 91.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.518 179.474 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -57.2 -33.74 67.8 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.897 -179.095 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -60.18 -39.48 86.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 10.7 m -104.97 6.38 10.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.976 -179.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 65' ' ' ASP . . . . . 0.538 ' CG ' ' H ' ' C' ' 68' ' ' GLY . 51.1 t0 -84.94 132.89 34.3 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.769 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -85.43 -34.33 21.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.041 179.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 67' ' ' ASP . . . . . 0.472 ' OD1' ' OD1' ' C' ' 65' ' ' ASP . 59.2 p30 -102.81 -9.94 19.53 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.224 -179.791 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 68' ' ' GLY . . . . . 0.538 ' H ' ' CG ' ' C' ' 65' ' ' ASP . . . 70.46 17.29 74.39 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.473 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 69' ' ' SER . . . . . 0.534 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 98.4 p -62.62 -19.09 63.43 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.669 0.271 . . . . 0.0 110.735 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 70' ' ' GLY . . . . . 0.582 ' C ' HG21 ' C' ' 61' ' ' ILE . . . 94.87 5.26 61.23 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 110.859 -0.897 . . . . 0.0 110.859 -179.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 79.1 p -133.39 161.79 33.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.506 0.194 . . . . 0.0 110.599 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 56.0 t -112.09 122.14 65.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.921 0.391 . . . . 0.0 110.153 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 73' ' ' ASP . . . . . 0.478 ' CG ' ' H ' ' C' ' 74' ' ' PHE . 43.5 t0 -90.18 -178.17 5.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.795 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 74' ' ' PHE . . . . . 0.622 ' CZ ' ' CE1' ' C' ' 24' ' ' PHE . 8.3 m-85 -59.43 -51.52 69.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.494 -179.706 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 75' ' ' ASP . . . . . 0.544 ' OD1' ' N ' ' C' ' 76' ' ' GLU . 42.9 p-10 -65.32 -40.77 94.17 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.232 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . 0.544 ' N ' ' OD1' ' C' ' 75' ' ' ASP . 98.8 mt-10 -64.25 -39.4 93.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.231 179.625 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -62.65 -43.08 99.72 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.151 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 27.0 tp -62.72 -39.94 95.61 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.449 -179.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 68.5 t -63.09 -46.99 94.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.299 -179.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 80' ' ' MET . . . . . 0.442 ' C ' ' SD ' ' C' ' 80' ' ' MET . 0.0 OUTLIER -70.7 -23.88 62.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.006 0.431 . . . . 0.0 110.258 -179.346 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 81' ' ' MET . . . . . 0.464 ' O ' ' SG ' ' C' ' 84' ' ' CYS . 14.9 tpt -66.61 -52.43 45.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.601 -179.513 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 76.3 t -70.94 -42.0 77.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.623 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 49.9 ttm-85 -60.97 -46.82 89.21 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.097 -179.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 84' ' ' CYS . . . . . 0.464 ' SG ' ' O ' ' C' ' 81' ' ' MET . 21.1 p -65.19 -31.93 73.36 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.606 -0.438 . . . . 0.0 110.325 -179.706 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 10.5 tpt -66.97 -40.47 87.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.93 0.395 . . . . 0.0 110.465 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp . . . . . 0 C--N 1.332 -0.195 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.777 -179.727 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.789 0.328 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' I' I ' 153' ' ' MET . . . . . 0.498 ' SD ' ' O ' ' I' ' 153' ' ' MET . 0.0 OUTLIER -59.78 -45.12 93.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.309 -179.252 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' I' I ' 154' ' ' MET . . . . . . . . . . . . . 36.5 mmt -62.63 -39.82 95.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.224 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -61.38 -51.85 67.07 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.568 -179.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 -0.315 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.262 179.48 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.385 0 N-CA-C 110.444 -0.206 . . . . 0.0 110.444 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.36 -46.58 88.0 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.059 -0.656 . . . . 0.0 110.731 -179.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 61.4 t -63.75 -46.79 93.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.808 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 40.5 tp10 -66.87 -34.07 76.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.189 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 11' ' ' GLN . . . . . 0.44 ' O ' ' C ' ' C' ' 12' ' ' LEU . 66.7 tt0 -61.1 -38.03 84.86 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.367 -179.287 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' C' ' 11' ' ' GLN . 91.0 mt -34.65 132.35 0.31 Allowed 'General case' 0 N--CA 1.464 0.258 0 O-C-N 123.355 0.41 . . . . 0.0 110.827 -179.522 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 13' ' ' THR . . . . . 0.43 ' OG1' ' OE1' ' C' ' 16' ' ' GLN . 67.9 p -75.72 166.03 24.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.802 -179.646 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -61.21 -33.69 73.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.287 0.565 . . . . 0.0 110.622 -179.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -73.11 -44.15 60.7 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.72 179.197 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 16' ' ' GLN . . . . . 0.43 ' OE1' ' OG1' ' C' ' 13' ' ' THR . 2.2 mp0 -59.09 -44.16 91.9 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.389 179.689 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -62.97 -39.45 94.71 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.513 179.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -63.51 -39.95 95.78 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 120.055 -0.658 . . . . 0.0 110.901 -179.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -60.96 -43.66 98.43 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 120.95 0.405 . . . . 0.0 111.074 -179.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -64.7 -41.11 96.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.128 0.49 . . . . 0.0 110.393 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 40.0 tptt -62.0 -39.97 94.05 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.975 179.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.59 -42.77 93.28 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.789 -0.365 . . . . 0.0 110.108 -179.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.96 -39.98 96.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.344 179.132 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -60.21 -45.95 91.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.42 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -59.49 -45.64 91.1 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.915 0.388 . . . . 0.0 110.754 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 87.8 mt -63.44 -39.57 85.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.148 0.499 . . . . 0.0 110.666 179.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 27' ' ' PHE . . . . . 0.556 ' HB3' HD12 ' C' ' 36' ' ' ILE . 2.8 m-85 -56.96 -38.11 72.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.156 -179.354 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . 0.416 ' O ' ' C ' ' C' ' 29' ' ' LEU . 34.8 m -92.26 30.84 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.747 179.579 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 29' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' C' ' 28' ' ' VAL . 0.9 OUTLIER -35.35 -40.31 0.14 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.052 -179.911 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . -151.93 52.18 0.49 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.074 -0.811 . . . . 0.0 111.074 179.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -93.66 121.09 34.73 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.48 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -63.33 -39.54 94.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.683 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 56.8 p30 -79.5 -14.31 58.97 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.81 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.83 18.67 80.11 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 179.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 35' ' ' CYS . . . . . 0.425 ' C ' HD13 ' C' ' 36' ' ' ILE . 80.3 m -131.38 171.56 13.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.92 0.39 . . . . 0.0 110.854 -179.728 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . 0.577 HD13 ' N ' ' C' ' 36' ' ' ILE . 1.2 mm -94.21 121.97 45.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.074 -179.324 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 34.9 p -129.09 -167.06 1.73 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.103 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 71.5 p -64.55 -22.54 67.0 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.416 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.11 -49.28 11.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.833 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 40' ' ' GLU . . . . . 0.466 ' O ' HG23 ' C' ' 44' ' ' VAL . 28.1 mp0 -61.97 -40.51 95.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.539 179.671 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 41' ' ' LEU . . . . . 0.583 HD23 HD22 ' C' ' 57' ' ' LEU . 4.3 tp -70.53 -36.05 73.51 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.224 179.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.29 -40.8 97.92 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 -179.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 52.7 tttp -71.4 -39.23 71.27 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 121.214 0.53 . . . . 0.0 110.2 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 44' ' ' VAL . . . . . 0.466 HG23 ' O ' ' C' ' 40' ' ' GLU . 53.6 t -60.47 -39.52 81.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.651 179.665 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 9.2 mmt -51.69 -18.73 1.3 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.321 -178.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 24.6 mmt85 -61.47 -37.06 82.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.3 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 65.0 mtt -62.02 -40.07 94.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.132 -179.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' C' ' 48' ' ' LEU . 81.4 mt -66.99 -30.28 70.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.49 179.18 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 99.2 26.76 8.59 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -142.97 160.65 39.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.901 0.382 . . . . 0.0 110.659 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -141.47 80.14 16.62 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.475 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -60.27 -157.86 0.02 OUTLIER 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.939 2.426 . . . . 0.0 111.906 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 16.6 p -114.23 150.3 43.47 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 115.439 -0.801 . . . . 0.0 111.53 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -62.24 -28.19 78.94 Favored 'Trans proline' 0 N--CA 1.495 1.588 0 C-N-CA 122.029 1.82 . . . . 0.0 112.864 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 55' ' ' GLU . . . . . 0.473 ' CG ' ' N ' ' C' ' 56' ' ' GLU . 8.0 pt-20 -63.19 -49.28 74.85 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.014 0.435 . . . . 0.0 111.98 -179.074 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . 0.473 ' N ' ' CG ' ' C' ' 55' ' ' GLU . 11.7 pt-20 -71.54 -31.27 66.83 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.357 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 57' ' ' LEU . . . . . 0.583 HD22 HD23 ' C' ' 41' ' ' LEU . 79.0 mt -62.36 -40.83 97.72 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.19 0.519 . . . . 0.0 110.128 179.174 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -67.9 -39.55 83.58 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.823 179.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -59.58 -42.95 93.65 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.321 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 75.5 mtm -64.02 -41.27 97.51 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.612 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 61' ' ' ILE . . . . . 0.447 HG21 ' C ' ' C' ' 70' ' ' GLY . 87.0 mt -61.84 -43.52 97.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 CA-C-O 121.175 0.512 . . . . 0.0 110.293 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -61.0 -38.41 85.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.636 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -60.81 -45.96 92.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.649 -0.251 . . . . 0.0 111.195 -179.419 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 10.7 p -81.82 -31.88 11.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 120.629 -0.429 . . . . 0.0 111.165 -179.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 65' ' ' ASP . . . . . 0.419 ' OD2' HG22 ' C' ' 61' ' ' ILE . 77.6 m-20 -70.24 126.31 29.28 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.569 -0.453 . . . . 0.0 110.562 -179.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 66' ' ' GLU . . . . . 0.456 ' OE1' ' N ' ' C' ' 66' ' ' GLU . 59.9 mp0 -86.58 -16.15 37.69 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.405 179.119 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 58.3 p30 -104.35 -10.89 17.46 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.974 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 67.07 22.6 72.53 Favored Glycine 0 CA--C 1.52 0.394 0 N-CA-C 110.557 -1.017 . . . . 0.0 110.557 179.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 96.4 p -59.64 -28.2 67.03 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.998 -179.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 70' ' ' GLY . . . . . 0.447 ' C ' HG21 ' C' ' 61' ' ' ILE . . . 93.23 -1.58 70.16 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 68.2 p -132.81 163.85 28.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.728 0.299 . . . . 0.0 110.72 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 95.8 t -117.2 126.12 74.34 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.479 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -94.37 177.19 6.03 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.727 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -58.71 -49.29 78.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.214 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 75' ' ' ASP . . . . . 0.643 ' O ' HG23 ' C' ' 79' ' ' VAL . 98.3 m-20 -61.93 -44.09 97.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.881 0.372 . . . . 0.0 110.146 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -65.2 -40.22 93.9 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.091 0.472 . . . . 0.0 110.132 178.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -59.63 -47.15 86.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.354 178.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 6.8 tp -63.4 -39.53 94.76 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.311 -0.556 . . . . 0.0 110.001 -179.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 79' ' ' VAL . . . . . 0.643 HG23 ' O ' ' C' ' 75' ' ' ASP . 73.3 t -63.33 -44.12 98.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.44 -179.337 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 1.9 ptt? -68.66 -30.99 69.8 Favored 'General case' 0 CA--C 1.519 -0.217 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 -178.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.67 -47.66 62.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.04 -179.605 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 70.4 t -63.6 -45.06 98.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.549 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 20.9 mtt180 -61.9 -44.54 96.59 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.765 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 84' ' ' CYS . . . . . . . . . . . . . 98.1 m -65.45 -40.1 92.82 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.659 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 85' ' ' MET . . . . . 0.433 ' C ' ' SD ' ' C' ' 85' ' ' MET . 0.7 OUTLIER -62.9 -44.07 97.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.688 -179.098 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.669 -179.872 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.217 0 CA-C-O 120.883 0.373 . . . . 0.0 110.507 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 58.2 ttm -70.1 -40.57 74.87 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 121.281 0.562 . . . . 0.0 110.568 179.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 154' ' ' MET . . . . . . . . . . . . . 2.0 mtt -60.7 -23.43 64.87 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.224 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 69.3 tp60 -61.69 -42.02 98.36 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.065 -179.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.148 179.554 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.522 ' C ' ' H ' ' C' ' 3' ' ' ASP . 35.1 ttm . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 2' ' ' ASP . . . . . 0.475 ' N ' ' CG ' ' C' ' 1' ' ' MET . 1.1 m-20 -60.86 2.02 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.753 179.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 3' ' ' ASP . . . . . 0.522 ' H ' ' C ' ' C' ' 1' ' ' MET . 97.9 m-20 -61.23 -37.01 81.51 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.304 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 4' ' ' ILE . . . . . 0.489 HG23 ' N ' ' C' ' 5' ' ' TYR . 14.9 tt -58.37 -40.4 78.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.732 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 5' ' ' TYR . . . . . 0.489 ' N ' HG23 ' C' ' 4' ' ' ILE . 42.2 m-85 -67.53 -38.92 84.95 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.631 179.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -58.95 -49.64 77.06 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.61 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.58 -40.19 95.09 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.55 179.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.48 -41.93 92.75 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.501 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 55.8 t -69.26 -43.29 81.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.674 179.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -62.22 -40.71 97.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.288 -179.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -64.42 -37.77 88.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.299 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . 0.546 ' O ' ' NZ ' ' C' ' 17' ' ' LYS . 0.9 OUTLIER -47.87 143.88 3.84 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.661 -179.606 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 71.1 p -78.63 162.86 25.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.539 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 14' ' ' GLU . . . . . 0.427 ' O ' ' OD1' ' C' ' 18' ' ' ASN . 96.9 mt-10 -63.02 -37.35 86.82 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.565 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -66.21 -42.88 88.14 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.785 -179.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 16' ' ' GLN . . . . . 0.454 ' O ' ' CD2' ' C' ' 20' ' ' PHE . 58.6 mt-30 -61.36 -41.67 97.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.898 179.458 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' LYS . . . . . 0.546 ' NZ ' ' O ' ' C' ' 12' ' ' LEU . 51.2 mttp -65.21 -39.55 92.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.829 179.3 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' ASN . . . . . 0.427 ' OD1' ' O ' ' C' ' 14' ' ' GLU . 27.2 m120 -62.43 -39.36 93.08 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.978 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.03 -45.77 92.12 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.747 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . 0.454 ' CD2' ' O ' ' C' ' 16' ' ' GLN . 47.7 m-85 -69.59 -38.93 77.53 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.619 179.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -60.22 -40.24 89.49 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.148 179.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.26 -42.25 98.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.3 179.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.45 -38.2 88.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.398 178.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -57.92 -47.66 82.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.405 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -59.46 -39.79 84.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.29 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 93.6 mt -68.33 -39.74 81.42 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.241 0 CA-C-O 121.199 0.523 . . . . 0.0 110.597 179.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 27' ' ' PHE . . . . . 0.452 ' CE1' HG21 ' C' ' 44' ' ' VAL . 2.6 m-85 -57.96 -41.35 82.68 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.238 -178.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 27.0 m -78.23 20.38 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.928 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 29' ' ' LEU . . . . . 0.681 HD12 ' N ' ' C' ' 30' ' ' GLY . 3.6 pp -59.68 -10.41 3.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.515 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 30' ' ' GLY . . . . . 0.681 ' N ' HD12 ' C' ' 29' ' ' LEU . . . -119.46 8.61 12.03 Favored Glycine 0 CA--C 1.519 0.321 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 -179.122 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 31' ' ' ALA . . . . . 0.409 ' CB ' ' O ' ' C' ' 35' ' ' CYS . . . -126.04 125.35 42.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.823 0.344 . . . . 0.0 110.641 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -81.49 -31.06 33.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.893 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -72.13 -15.58 61.98 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.526 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 89.23 10.54 65.89 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 35' ' ' CYS . . . . . 0.409 ' O ' ' CB ' ' C' ' 31' ' ' ALA . 75.3 m -101.59 150.93 22.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.793 0.33 . . . . 0.0 110.465 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 84.3 mt -102.6 121.34 53.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.118 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 49.6 m -122.16 -168.63 1.75 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.581 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 73.1 p -64.43 -31.37 72.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.349 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 63.6 mmtt -62.45 -45.15 94.37 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.781 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 46.7 mp0 -64.88 -42.78 94.52 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.728 179.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 10.9 tp -68.07 -35.97 79.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.192 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.53 -40.99 98.55 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.786 -0.926 . . . . 0.0 110.786 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -66.52 -40.2 89.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.866 0.365 . . . . 0.0 110.595 179.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 44' ' ' VAL . . . . . 0.452 HG21 ' CE1' ' C' ' 27' ' ' PHE . 74.7 t -63.29 -47.16 93.41 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.518 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 27.3 mtt -63.24 -38.78 92.5 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.864 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -57.57 -43.72 84.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.368 -179.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 51.3 ttm -62.82 -39.12 93.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.065 0.46 . . . . 0.0 110.579 178.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 95.6 mt -65.57 -18.92 65.68 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.572 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.41 8.32 41.05 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . 0.454 ' OE1' HD11 ' I' ' 148' ' ' ILE . 74.8 mt-30 -104.8 131.98 51.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.839 0.352 . . . . 0.0 110.466 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 51' ' ' ASN . . . . . 0.44 ' N ' ' OD1' ' C' ' 51' ' ' ASN . 21.3 p-10 -136.22 64.68 54.83 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.807 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -72.36 -167.38 0.32 Allowed 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 123.011 2.474 . . . . 0.0 112.02 179.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 2.2 p -90.26 151.51 44.73 Favored Pre-proline 0 C--O 1.242 0.658 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.091 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -61.84 -30.36 84.13 Favored 'Trans proline' 0 C--N 1.308 -1.591 0 C-N-CA 122.463 2.109 . . . . 0.0 112.217 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -62.56 -36.25 82.06 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.13 -0.487 . . . . 0.0 109.85 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -68.71 -40.78 79.79 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.201 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 8.9 mp -60.37 -40.96 92.66 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.842 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 58' ' ' GLN . . . . . 0.535 ' NE2' ' OD2' ' C' ' 62' ' ' ASP . 25.8 tm0? -66.2 -42.12 89.23 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 -64.37 -39.21 93.43 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.129 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -60.06 -44.95 94.37 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.987 0.422 . . . . 0.0 110.499 -179.437 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 61' ' ' ILE . . . . . 0.424 ' O ' ' N ' ' C' ' 65' ' ' ASP . 87.4 mt -60.48 -41.45 87.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.211 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 62' ' ' ASP . . . . . 0.535 ' OD2' ' NE2' ' C' ' 58' ' ' GLN . 95.4 m-20 -59.69 -39.01 83.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.606 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -61.91 -41.43 97.91 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.394 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 53.8 t -85.43 -32.06 7.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 65' ' ' ASP . . . . . 0.506 ' OD2' ' N ' ' C' ' 69' ' ' SER . 47.7 t0 -83.81 116.51 22.75 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.547 -179.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -72.01 -34.69 69.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.51 -179.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.66 -14.83 56.15 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.041 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 65.67 20.03 67.74 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.5 -1.04 . . . . 0.0 110.5 179.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 69' ' ' SER . . . . . 0.506 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 84.5 p -60.6 -21.59 62.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.792 0.329 . . . . 0.0 110.72 -179.179 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 86.77 5.24 81.65 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 69.4 p -128.94 152.76 48.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.721 0.296 . . . . 0.0 110.494 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 94.1 t -119.31 124.48 73.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.672 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -103.01 -177.36 3.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.746 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -58.89 -48.16 82.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.706 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -60.32 -46.24 90.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.617 -179.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -65.89 -40.15 91.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.929 0.395 . . . . 0.0 110.597 178.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -60.16 -46.02 91.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.352 178.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 62.3 tp -60.12 -44.65 94.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.466 -179.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 57.5 t -63.05 -42.6 97.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.895 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 43.3 ttp -63.6 -39.03 93.32 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.167 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 81' ' ' MET . . . . . 0.457 ' C ' ' SD ' ' C' ' 81' ' ' MET . 0.0 OUTLIER -63.84 -47.46 80.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.695 -179.113 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 75.8 t -66.68 -42.0 88.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.58 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 77.1 ttt-85 -60.85 -44.45 96.97 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.709 -178.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 84' ' ' CYS . . . . . . . . . . . . . 92.0 m -62.8 -41.71 99.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.803 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 8.0 tpt -66.49 -44.62 82.12 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.604 -179.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 86' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' C' ' 88' ' ' ASP . 62.3 tttp -62.37 -40.28 95.93 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.752 179.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 87' ' ' ASP . . . . . 0.422 ' O ' ' OD1' ' C' ' 87' ' ' ASP . 60.1 t0 -38.85 -27.65 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.671 -179.462 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 88' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' C' ' 86' ' ' LYS . 38.2 t70 -122.6 73.42 1.12 Allowed 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.567 179.221 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 24.6 t . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.656 179.799 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' I' I ' 144' ' ' ARG . . . . . . . . . . . . . 2.7 tpp180 . . . . . 0 N--CA 1.488 1.428 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' I' I ' 145' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 51.13 42.73 29.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.428 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 146' ' ' VAL . . . . . . . . . . . . . 31.5 m -54.14 156.69 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.541 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.28 141.95 47.99 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.671 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 148' ' ' ILE . . . . . 0.454 HD11 ' OE1' ' C' ' 50' ' ' GLN . 15.2 mt 47.92 76.45 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.627 179.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 149' ' ' SER . . . . . 0.673 ' O ' ' HB2' ' I' ' 150' ' ' ALA . 89.4 p -62.54 -37.72 87.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.491 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 150' ' ' ALA . . . . . 0.673 ' HB2' ' O ' ' I' ' 149' ' ' SER . . . 162.16 -25.64 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.579 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 151' ' ' ASP . . . . . 0.465 ' O ' ' OE1' ' I' ' 155' ' ' GLN . 1.3 p30 -66.53 -47.28 73.41 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.816 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 152' ' ' ALA . . . . . 0.436 ' HB3' HG23 ' I' ' 148' ' ' ILE . . . -60.82 -40.81 94.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.559 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 26.5 ttm -63.48 -43.33 97.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.851 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 154' ' ' MET . . . . . 0.496 ' O ' ' O ' ' I' ' 157' ' ' LEU . 0.0 OUTLIER -59.09 -37.86 78.14 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.388 -179.347 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' I' I ' 155' ' ' GLN . . . . . 0.465 ' OE1' ' O ' ' I' ' 151' ' ' ASP . 5.7 mp0 -72.23 -34.37 68.26 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.851 0.358 . . . . 0.0 110.81 179.226 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . -60.09 -38.75 83.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.449 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 157' ' ' LEU . . . . . 0.496 ' O ' ' O ' ' I' ' 154' ' ' MET . 1.4 pp -120.62 177.7 4.97 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.637 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 158' ' ' LEU . . . . . . . . . . . . . 35.4 tp -59.01 -78.1 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.442 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 159' ' ' GLY . . . . . 0.447 ' N ' HD12 ' I' ' 157' ' ' LEU . . . 49.62 -133.23 26.45 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 178.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 160' ' ' ALA . . . . . . . . . . . . . . . -115.17 138.61 50.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.866 0.365 . . . . 0.0 110.616 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 161' ' ' ARG . . . . . 0.581 ' O ' ' CG ' ' I' ' 162' ' ' HIS . 76.3 ttt180 -62.27 -37.03 83.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.546 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 162' ' ' HIS . . . . . 0.581 ' CG ' ' O ' ' I' ' 161' ' ' ARG . 22.3 p80 46.29 24.09 0.25 Allowed 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.18 0.514 . . . . 0.0 110.408 -179.336 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 163' ' ' LYS . . . . . . . . . . . . . 67.1 mttm 52.9 -134.46 1.67 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.354 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 164' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -97.2 -4.69 38.59 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.43 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 165' ' ' SER . . . . . . . . . . . . . 92.6 p -171.4 170.21 5.97 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.5 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 166' ' ' LEU . . . . . 0.457 ' H ' HD12 ' I' ' 166' ' ' LEU . 0.9 OUTLIER -106.01 -69.69 0.82 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.625 179.41 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' I' I ' 167' ' ' ASP . . . . . . . . . . . . . 46.7 p-10 -138.94 24.51 2.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.676 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 168' ' ' LEU . . . . . 0.408 ' HA ' HD13 ' I' ' 168' ' ' LEU . 2.1 mm? -101.72 132.23 47.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.789 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 169' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 -73.39 122.61 22.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.557 -179.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 170' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.005 -0.998 . . . . 0.0 110.547 179.977 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.582 ' O ' HG22 ' C' ' 4' ' ' ILE . 4.1 tpp . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -65.28 -24.8 67.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.79 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -62.45 -22.88 66.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.845 -179.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 4' ' ' ILE . . . . . 0.582 HG22 ' O ' ' C' ' 1' ' ' MET . 20.5 tt -58.75 -36.8 62.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.563 -179.691 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 5' ' ' TYR . . . . . 0.442 ' O ' HG23 ' C' ' 9' ' ' VAL . 71.4 m-85 -69.6 -40.91 76.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.875 0.369 . . . . 0.0 110.531 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 32.9 mmtm -63.1 -42.95 99.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.052 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.3 -39.11 89.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.431 178.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.83 -42.21 97.69 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.549 -179.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . 0.442 HG23 ' O ' ' C' ' 5' ' ' TYR . 57.6 t -62.2 -47.38 93.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.643 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -67.21 -40.7 86.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.743 179.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.35 -38.9 91.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.944 -179.493 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 1.2 mp -50.21 137.17 18.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.921 0.391 . . . . 0.0 110.992 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 72.1 p -77.07 165.78 24.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.522 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -61.04 -37.34 82.25 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.949 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -65.36 -41.14 94.14 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.801 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -63.58 -40.87 98.05 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.048 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 7.0 mtpt -66.19 -38.63 88.46 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.177 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -61.18 -43.02 99.54 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 119.913 -0.715 . . . . 0.0 110.369 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -63.32 -40.01 96.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.59 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . 0.473 ' CD1' ' C ' ' C' ' 20' ' ' PHE . 0.0 OUTLIER -61.16 -43.87 98.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.522 179.51 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -59.44 -40.97 88.52 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.731 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.55 -42.24 99.41 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.462 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.87 -41.33 99.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.744 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 24' ' ' PHE . . . . . 0.637 ' CD2' ' CE1' ' C' ' 74' ' ' PHE . 55.1 t80 -60.35 -43.35 96.59 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.322 -179.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -59.19 -41.14 87.81 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.058 0.456 . . . . 0.0 110.366 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 97.0 mt -68.86 -41.78 82.29 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 CA-C-O 121.044 0.45 . . . . 0.0 110.675 179.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -56.47 -40.05 74.21 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.957 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 33.5 m -83.28 26.09 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 120.919 -0.313 . . . . 0.0 110.878 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 1.5 pp -45.0 -31.98 1.49 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.048 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . -118.54 23.98 8.75 Favored Glycine 0 CA--C 1.529 0.928 0 N-CA-C 111.799 -0.52 . . . . 0.0 111.799 -179.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 31' ' ' ALA . . . . . 0.508 ' N ' ' OE2' ' C' ' 40' ' ' GLU . . . -135.89 94.25 3.04 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.158 0.504 . . . . 0.0 110.628 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -73.1 -11.11 60.43 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.173 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -83.56 -11.45 57.35 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.437 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 81.96 22.43 59.46 Favored Glycine 0 CA--C 1.522 0.489 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 35' ' ' CYS . . . . . . . . . . . . . 75.2 m -123.63 142.49 51.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.888 0.375 . . . . 0.0 110.836 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 3.4 mt -107.2 124.38 63.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.2 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 37' ' ' SER . . . . . 0.44 ' OG ' ' N ' ' C' ' 38' ' ' THR . 41.4 t -123.32 -166.17 1.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.337 -179.668 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 38' ' ' THR . . . . . 0.44 ' N ' ' OG ' ' C' ' 37' ' ' SER . 70.6 p -66.14 -29.73 70.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.719 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 39' ' ' LYS . . . . . 0.574 ' NZ ' ' CB ' ' C' ' 39' ' ' LYS . 0.0 OUTLIER -61.71 -50.74 71.23 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.656 -0.418 . . . . 0.0 110.814 -179.595 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 40' ' ' GLU . . . . . 0.508 ' OE2' ' N ' ' C' ' 31' ' ' ALA . 49.3 mt-10 -70.33 -39.3 74.81 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 120.335 -0.546 . . . . 0.0 111.12 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 1.5 tp -65.53 -39.56 91.93 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -179.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.77 -38.66 96.3 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.27 -42.32 93.31 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.085 0.469 . . . . 0.0 110.593 -179.368 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 65.2 t -63.37 -41.28 92.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.208 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 22.1 mmt -60.57 -40.52 91.96 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.67 -179.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 61.0 mtm180 -62.52 -39.19 92.78 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.143 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 7.7 mmm -62.4 -38.7 90.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.123 0.487 . . . . 0.0 110.27 179.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . 0.74 HD13 HD13 ' I' ' 148' ' ' ILE . 93.9 mt -68.39 -16.68 64.01 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.608 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 101.19 9.21 45.49 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -109.98 141.43 42.77 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.754 0.311 . . . . 0.0 110.2 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -139.9 73.43 33.47 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.702 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -77.63 -171.07 1.08 Allowed 'Trans proline' 0 C--N 1.307 -1.635 0 C-N-CA 122.786 2.324 . . . . 0.0 112.166 -179.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 7.9 p -92.18 154.51 43.15 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.46 -179.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_exo -52.15 -38.26 70.81 Favored 'Trans proline' 0 N--CA 1.497 1.721 0 C-N-CA 121.801 1.667 . . . . 0.0 112.489 179.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -61.82 -37.04 82.92 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.075 0.464 . . . . 0.0 111.27 -178.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -66.72 -40.95 88.62 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.053 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 82.4 mt -62.72 -40.92 98.69 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.395 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 71.6 tp60 -66.41 -41.4 89.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.148 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -63.79 -40.01 95.62 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.791 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 8.4 mmt -60.15 -43.59 95.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.425 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 61' ' ' ILE . . . . . 0.432 HG21 ' C ' ' C' ' 70' ' ' GLY . 96.7 mt -67.85 -39.47 81.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.012 179.365 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -58.92 -39.45 81.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.573 -179.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -61.21 -38.78 87.79 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.535 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 46.5 t -89.97 -31.23 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.256 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 65' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' C' ' 61' ' ' ILE . 66.4 t0 -79.88 116.38 20.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.11 -178.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -76.51 -38.17 55.59 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.953 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 67' ' ' ASP . . . . . 0.41 ' OD2' ' OG ' ' C' ' 69' ' ' SER . 0.5 OUTLIER -76.53 -12.89 60.1 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.0 -179.432 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.71 14.27 67.2 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.536 -1.025 . . . . 0.0 110.536 179.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 69' ' ' SER . . . . . 0.41 ' OG ' ' OD2' ' C' ' 67' ' ' ASP . 98.1 p -62.16 -22.87 66.22 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 121.084 -0.247 . . . . 0.0 110.805 -179.346 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 70' ' ' GLY . . . . . 0.432 ' C ' HG21 ' C' ' 61' ' ' ILE . . . 88.18 6.13 75.36 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 58.7 p -133.83 159.26 41.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.514 0.197 . . . . 0.0 110.532 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 47.1 t -117.1 124.31 72.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 56.1 p30 -94.53 -169.97 2.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.043 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 74' ' ' PHE . . . . . 0.637 ' CE1' ' CD2' ' C' ' 24' ' ' PHE . 5.9 m-85 -60.87 -50.75 72.15 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 75' ' ' ASP . . . . . 0.406 ' O ' HG23 ' C' ' 79' ' ' VAL . 97.6 m-20 -63.02 -44.65 95.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.215 -179.218 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -65.27 -41.65 93.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.307 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -61.95 -46.04 91.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.415 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 47.7 tp -60.87 -41.48 96.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.97 -178.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 79' ' ' VAL . . . . . 0.406 HG23 ' O ' ' C' ' 75' ' ' ASP . 54.5 t -62.24 -40.27 87.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.329 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 64.8 ttp -63.52 -39.33 94.15 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.078 -179.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 23.2 ttt -61.85 -46.11 90.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.491 -179.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 66.5 t -65.41 -40.99 90.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.698 179.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 3.5 ttp85 -56.67 -43.41 80.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.367 -178.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 84' ' ' CYS . . . . . . . . . . . . . 54.1 t -61.5 -45.7 93.1 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.287 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 18.9 mmt -61.41 -28.96 69.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.443 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 67.3 mmtt -90.1 7.46 37.73 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.56 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 87' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -39.64 110.55 0.15 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.399 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -125.1 74.51 1.37 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.326 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.324 -0.505 0 CA-C-O 117.931 -1.033 . . . . 0.0 110.374 179.905 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' I' I ' 144' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' I' I ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.03 -7.24 16.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.425 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 146' ' ' VAL . . . . . . . . . . . . . 14.3 p -56.84 -29.47 30.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.578 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 147' ' ' ARG . . . . . . . . . . . . . 9.2 ptt-85 -111.79 168.06 9.87 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.498 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 148' ' ' ILE . . . . . 0.74 HD13 HD13 ' C' ' 48' ' ' LEU . 11.8 tt -86.18 163.14 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.508 -179.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 149' ' ' SER . . . . . . . . . . . . . 30.3 t -57.23 125.65 23.69 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.159 0.504 . . . . 0.0 110.462 -179.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 150' ' ' ALA . . . . . . . . . . . . . . . -62.28 -38.27 88.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.124 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 151' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -59.6 -42.53 92.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.296 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . -60.83 -43.7 97.93 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.528 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 50.6 ttm -61.87 -46.35 89.81 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.589 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 154' ' ' MET . . . . . . . . . . . . . 10.5 mmt -62.7 -39.91 95.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.696 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -60.95 -43.9 98.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.645 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . -62.22 -44.08 97.38 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.802 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 157' ' ' LEU . . . . . 0.525 ' O ' HD22 ' I' ' 158' ' ' LEU . 90.1 mt -66.17 -41.38 90.38 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 158' ' ' LEU . . . . . 0.633 HD12 ' O ' ' I' ' 160' ' ' ALA . 0.3 OUTLIER -135.46 107.52 7.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.404 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' I' I ' 159' ' ' GLY . . . . . . . . . . . . . . . -95.13 10.36 69.83 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 160' ' ' ALA . . . . . 0.633 ' O ' HD12 ' I' ' 158' ' ' LEU . . . -144.24 158.53 43.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.718 0.294 . . . . 0.0 110.708 -179.562 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 161' ' ' ARG . . . . . . . . . . . . . 44.8 mtm105 55.76 46.43 22.45 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.782 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 162' ' ' HIS . . . . . 0.538 ' CE1' ' O ' ' I' ' 163' ' ' LYS . 0.0 OUTLIER -157.06 121.27 4.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.642 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' I' I ' 163' ' ' LYS . . . . . 0.538 ' O ' ' CE1' ' I' ' 162' ' ' HIS . 46.7 mmtm -73.72 147.07 43.92 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.227 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 164' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -56.04 -21.32 20.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.728 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 165' ' ' SER . . . . . . . . . . . . . 44.5 t -94.67 -22.42 18.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.73 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 166' ' ' LEU . . . . . . . . . . . . . 2.4 tp 71.45 144.92 0.06 Allowed 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.65 -179.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 167' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -94.03 167.94 11.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.677 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 168' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -76.33 -36.46 58.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.429 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 169' ' ' ARG . . . . . . . . . . . . . 23.2 ptt-85 -124.38 115.87 21.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.28 0.562 . . . . 0.0 110.677 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 170' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.528 0 CA-C-O 118.047 -0.978 . . . . 0.0 110.277 179.906 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.546 ' SD ' ' N ' ' C' ' 1' ' ' MET . 0.8 OUTLIER . . . . . 0 N--CA 1.489 1.496 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 44.7 p-10 -68.55 -4.58 15.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.257 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 3' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' C' ' 4' ' ' ILE . 46.1 p-10 -63.36 -32.59 74.05 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.252 179.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 4' ' ' ILE . . . . . 0.506 ' N ' ' OD1' ' C' ' 3' ' ' ASP . 91.0 mt -62.16 -47.64 92.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 121.073 0.464 . . . . 0.0 110.849 179.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 5' ' ' TYR . . . . . 0.585 ' O ' HG23 ' C' ' 9' ' ' VAL . 77.0 m-85 -67.06 -40.08 87.03 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.624 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . 0.445 ' O ' ' OE1' ' C' ' 10' ' ' GLU . 27.5 ttmt -60.17 -47.02 87.7 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 179.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.36 -40.84 98.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.285 178.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.99 -41.89 99.7 Favored 'General case' 0 C--N 1.333 -0.152 0 C-N-CA 120.307 -0.557 . . . . 0.0 110.068 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . 0.585 HG23 ' O ' ' C' ' 5' ' ' TYR . 53.0 t -61.71 -46.85 95.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.124 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . 0.445 ' OE1' ' O ' ' C' ' 6' ' ' LYS . 3.5 mp0 -70.45 -38.45 74.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.765 179.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -70.72 -19.54 62.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.081 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' C' ' 12' ' ' LEU . 2.5 tp -54.24 148.45 11.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.924 0.392 . . . . 0.0 110.462 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 68.9 p -76.97 161.88 28.02 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.64 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -64.57 -39.41 93.69 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.354 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -62.82 -44.08 97.11 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.748 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -63.05 -40.71 98.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.153 0.502 . . . . 0.0 109.804 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 14.5 mmmt -63.11 -40.74 98.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.457 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -65.83 -39.77 91.14 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.443 -0.503 . . . . 0.0 111.264 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -62.1 -40.74 96.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.982 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -74.63 -38.61 62.47 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.096 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 24.4 ttpp -58.93 -41.41 87.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.299 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.2 -41.75 97.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.891 0.377 . . . . 0.0 110.222 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.62 -40.0 95.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.46 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 24' ' ' PHE . . . . . 0.565 ' O ' HG22 ' C' ' 28' ' ' VAL . 84.4 t80 -58.66 -45.83 88.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.098 -179.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -59.3 -44.02 92.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.069 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 87.0 mt -65.57 -42.94 94.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.906 179.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 27' ' ' PHE . . . . . 0.791 ' CE1' HG21 ' C' ' 44' ' ' VAL . 1.9 m-85 -59.44 -39.65 84.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.032 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . 0.644 ' O ' ' N ' ' C' ' 30' ' ' GLY . 22.1 m -94.42 34.44 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.431 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -38.32 80.28 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.89 0.744 . . . . 0.0 111.622 -179.543 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 30' ' ' GLY . . . . . 0.644 ' N ' ' O ' ' C' ' 28' ' ' VAL . . . 64.72 31.02 79.53 Favored Glycine 0 CA--C 1.528 0.853 0 N-CA-C 110.665 -0.974 . . . . 0.0 110.665 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.55 132.68 13.68 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.296 -179.301 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -62.81 -42.85 99.89 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.633 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 56.8 p-10 -85.19 -12.72 52.01 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.965 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 79.92 11.09 84.93 Favored Glycine 0 CA--C 1.52 0.379 0 N-CA-C 110.687 -0.965 . . . . 0.0 110.687 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 35' ' ' CYS . . . . . . . . . . . . . 78.4 m -133.52 164.28 27.52 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.356 -0.422 . . . . 0.0 110.776 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 80.5 mt -90.8 119.87 38.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 96.6 p -123.96 -169.2 1.91 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.915 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 73.9 p -62.39 -31.94 72.69 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.354 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -65.55 -46.49 79.29 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 121.188 0.518 . . . . 0.0 110.689 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -65.34 -39.79 92.83 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.396 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 1.4 mp -60.48 -40.31 90.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.201 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.04 -39.25 95.47 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.77 -49.81 69.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.312 0.577 . . . . 0.0 110.317 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 44' ' ' VAL . . . . . 0.791 HG21 ' CE1' ' C' ' 27' ' ' PHE . 77.3 t -62.37 -45.25 99.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.907 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 22.0 mmt -60.91 -36.98 80.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.624 -179.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 15.9 ttp85 -53.1 -37.14 61.47 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.126 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 97.7 mtp -63.71 -39.75 95.07 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.228 0.537 . . . . 0.0 110.304 179.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 97.2 mt -68.45 -21.77 64.62 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.563 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 98.93 13.03 41.29 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 89.4 mm-40 -109.34 137.4 47.26 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.064 0.459 . . . . 0.0 111.246 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 41.4 t-20 -139.17 73.75 37.25 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.408 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -77.5 -176.04 3.0 Favored 'Trans proline' 0 C--N 1.308 -1.58 0 C-N-CA 122.535 2.157 . . . . 0.0 111.924 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 74.4 p -79.69 149.41 71.12 Favored Pre-proline 0 CA--C 1.539 0.555 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.471 -179.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -65.66 -32.71 47.07 Favored 'Trans proline' 0 N--CA 1.495 1.587 0 C-N-CA 121.82 1.68 . . . . 0.0 112.196 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 55' ' ' GLU . . . . . 0.459 ' CG ' ' N ' ' C' ' 56' ' ' GLU . 21.5 pt-20 -65.65 -42.84 90.95 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.207 -179.098 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . 0.459 ' N ' ' CG ' ' C' ' 55' ' ' GLU . 1.3 pp20? -73.6 -30.23 62.87 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.149 -0.62 . . . . 0.0 109.387 -179.111 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 65.6 mt -62.62 -39.8 94.93 Favored 'General case' 0 CA--C 1.515 -0.392 0 C-N-CA 120.403 -0.519 . . . . 0.0 109.822 178.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -68.05 -39.51 83.02 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 119.755 -0.778 . . . . 0.0 109.858 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.01 -40.61 96.28 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.535 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 89.3 mtp -61.03 -43.27 99.13 Favored 'General case' 0 CA--C 1.516 -0.329 0 C-N-CA 119.915 -0.714 . . . . 0.0 110.474 178.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 61' ' ' ILE . . . . . 0.442 HG21 ' C ' ' C' ' 70' ' ' GLY . 95.2 mt -64.18 -43.2 97.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 120.33 -0.548 . . . . 0.0 110.397 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.22 -41.92 94.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.04 -179.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.1 -41.8 97.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.869 0.366 . . . . 0.0 110.812 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 86.5 t -80.07 -32.27 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.731 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 65' ' ' ASP . . . . . 0.503 ' OD2' ' N ' ' C' ' 69' ' ' SER . 68.0 t0 -77.5 115.44 17.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.596 -179.258 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -62.17 -39.92 94.28 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.842 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 67' ' ' ASP . . . . . 0.409 ' OD1' ' OD1' ' C' ' 65' ' ' ASP . 0.1 OUTLIER -83.76 -11.95 56.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.699 -179.638 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 66.52 23.03 71.87 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.575 -1.01 . . . . 0.0 110.575 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 69' ' ' SER . . . . . 0.503 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 65.2 m -57.9 -29.75 65.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.591 0.234 . . . . 0.0 110.756 -178.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 70' ' ' GLY . . . . . 0.442 ' C ' HG21 ' C' ' 61' ' ' ILE . . . 95.84 -4.72 66.03 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 -179.518 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 14.0 p -133.65 163.09 30.21 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 2.0 t -110.49 123.98 66.86 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 CA-C-O 121.151 0.5 . . . . 0.0 110.192 179.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 73' ' ' ASP . . . . . 0.444 ' H ' ' HB2' ' C' ' 76' ' ' GLU . 98.6 m-20 -93.87 178.92 5.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.298 -0.864 . . . . 0.0 109.949 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -59.93 -49.52 77.36 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.749 -178.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -66.98 -40.31 87.39 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.952 0.406 . . . . 0.0 110.914 179.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . 0.444 ' HB2' ' H ' ' C' ' 73' ' ' ASP . 99.1 mt-10 -63.77 -39.55 94.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.28 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -61.48 -42.3 98.58 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 179.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 13.1 mt -58.15 -44.23 87.78 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.057 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 59.3 t -63.92 -43.97 97.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 C-N-CA 120.729 -0.389 . . . . 0.0 111.207 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 14.6 tmm? -65.11 -37.7 88.31 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.042 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 81' ' ' MET . . . . . 0.472 ' O ' ' SD ' ' C' ' 81' ' ' MET . 0.0 OUTLIER -60.47 -49.15 78.72 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.605 -178.928 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 60.5 t -65.19 -41.55 91.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.969 0.414 . . . . 0.0 110.38 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -59.92 -42.58 94.21 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.556 -179.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 84' ' ' CYS . . . . . 0.442 ' O ' ' O ' ' C' ' 87' ' ' ASP . 50.5 t -61.28 -43.44 98.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.88 0.371 . . . . 0.0 110.219 179.22 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 21.8 mmm -57.83 -43.02 85.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.818 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 29.6 mmtm -63.6 -39.92 95.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.771 0.319 . . . . 0.0 110.746 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 87' ' ' ASP . . . . . 0.442 ' O ' ' O ' ' C' ' 84' ' ' CYS . 0.9 OUTLIER -148.46 145.68 28.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.479 179.602 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -104.78 71.8 0.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.189 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 24.1 p . . . . . 0 C--N 1.323 -0.577 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.433 179.945 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' I' I ' 144' ' ' ARG . . . . . . . . . . . . . 54.3 ttt85 . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' I' I ' 145' ' ' ARG . . . . . . . . . . . . . 31.2 mmm-85 -90.88 -1.05 57.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.81 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 146' ' ' VAL . . . . . . . . . . . . . 14.9 m -115.87 135.83 54.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.134 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 147' ' ' ARG . . . . . . . . . . . . . 85.2 mtt-85 -138.83 146.91 41.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.022 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 148' ' ' ILE . . . . . 0.913 ' O ' ' HB3' ' I' ' 152' ' ' ALA . 86.0 mt -79.96 -63.38 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.473 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 149' ' ' SER . . . . . 0.574 ' O ' ' O ' ' I' ' 148' ' ' ILE . 9.5 t 44.81 168.66 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.782 -0.645 . . . . 0.0 112.052 179.396 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 150' ' ' ALA . . . . . . . . . . . . . . . -70.87 -42.0 70.62 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.377 179.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 151' ' ' ASP . . . . . 0.44 ' OD1' ' N ' ' I' ' 151' ' ' ASP . 16.4 p-10 -67.07 -49.93 63.46 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.122 -0.49 . . . . 0.0 112.092 -179.208 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 152' ' ' ALA . . . . . 0.913 ' HB3' ' O ' ' I' ' 148' ' ' ILE . . . -62.62 -39.82 95.03 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.093 -179.633 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 18.2 tpt -59.24 -47.33 85.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.457 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 154' ' ' MET . . . . . . . . . . . . . 22.5 mmt -63.5 -41.33 98.54 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.771 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -63.55 -42.9 98.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.592 -179.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . -62.93 -40.59 98.08 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.721 179.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 157' ' ' LEU . . . . . . . . . . . . . 3.6 mt -60.98 -55.98 26.52 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.01 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 158' ' ' LEU . . . . . . . . . . . . . 96.3 mt -70.2 -39.26 75.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.688 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 159' ' ' GLY . . . . . . . . . . . . . . . 78.82 -173.52 55.31 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 160' ' ' ALA . . . . . . . . . . . . . . . 47.53 -127.3 1.73 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.816 0.341 . . . . 0.0 110.56 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 161' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -131.09 150.12 52.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.549 179.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 162' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -135.9 143.2 44.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.91 179.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 163' ' ' LYS . . . . . . . . . . . . . 16.1 pttt -94.86 88.59 5.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.815 -179.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 164' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -149.86 110.08 4.17 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.966 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 165' ' ' SER . . . . . 0.41 ' O ' ' O ' ' I' ' 166' ' ' LEU . 67.8 m -90.94 1.68 56.84 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.608 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 166' ' ' LEU . . . . . 0.41 ' O ' ' O ' ' I' ' 165' ' ' SER . 8.6 mp 59.59 126.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.434 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 167' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -77.97 136.92 38.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.048 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 168' ' ' LEU . . . . . . . . . . . . . 71.7 mt 41.38 73.77 0.12 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.966 179.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 169' ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 -60.51 -40.42 91.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.932 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 170' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.823 179.654 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 66.8 mtt . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 53.16 37.61 25.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.459 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -63.04 -39.34 94.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.508 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 97.1 mt -60.15 -46.46 94.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.707 -179.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 5' ' ' TYR . . . . . 0.405 ' O ' HG23 ' C' ' 9' ' ' VAL . 82.6 m-85 -65.49 -41.13 93.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.459 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 3.2 mmtm -62.58 -47.04 85.55 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 179.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.07 -40.37 97.48 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.233 179.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.21 -43.17 99.31 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.015 -0.674 . . . . 0.0 110.033 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . 0.405 HG23 ' O ' ' C' ' 5' ' ' TYR . 54.6 t -62.57 -47.42 93.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.093 179.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -64.82 -40.06 94.58 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.834 0.35 . . . . 0.0 110.543 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -62.94 -37.07 85.56 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.904 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 2.0 mp -59.09 134.19 56.76 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-O 120.968 0.413 . . . . 0.0 110.732 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 63.8 p -78.92 166.49 22.32 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.61 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -62.37 -34.69 77.19 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.194 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -66.09 -42.14 89.69 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.656 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 -64.86 -40.94 95.93 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.353 -0.539 . . . . 0.0 109.698 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 23.4 mmtp -62.42 -40.31 96.11 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.735 179.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 40.0 t-20 -63.24 -42.54 99.21 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 119.747 -0.781 . . . . 0.0 110.77 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 -63.35 -38.91 92.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.84 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . 0.6 ' CE2' ' SD ' ' C' ' 81' ' ' MET . 3.8 m-85 -60.67 -43.9 97.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.145 0.498 . . . . 0.0 110.578 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 16.7 mtpt -62.78 -38.76 91.89 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.283 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.89 -43.42 94.79 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.306 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.2 -42.34 99.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.941 0.401 . . . . 0.0 110.197 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -61.92 -44.31 97.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.464 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 25' ' ' ASP . . . . . 0.415 ' O ' HG22 ' C' ' 28' ' ' VAL . 98.3 m-20 -59.93 -41.31 91.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.363 -179.611 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 96.8 mt -70.88 -41.22 77.2 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.659 0 CA-C-O 121.183 0.516 . . . . 0.0 110.249 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 27' ' ' PHE . . . . . 0.555 ' CZ ' HG21 ' C' ' 44' ' ' VAL . 0.4 OUTLIER -54.28 -37.41 64.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.185 -179.357 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . 0.415 HG22 ' O ' ' C' ' 25' ' ' ASP . 26.7 m -79.85 17.17 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.094 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 29' ' ' LEU . . . . . 0.66 HD12 ' N ' ' C' ' 30' ' ' GLY . 3.3 pp -55.38 -9.03 0.4 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.39 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 30' ' ' GLY . . . . . 0.66 ' N ' HD12 ' C' ' 29' ' ' LEU . . . -130.98 16.57 5.26 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -130.33 116.91 18.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.908 0.385 . . . . 0.0 111.532 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 32' ' ' GLU . . . . . 0.404 ' OE1' ' N ' ' C' ' 32' ' ' GLU . 18.4 pm0 -75.34 -25.1 57.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.399 179.344 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -87.8 -10.23 51.54 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.642 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.54 14.75 72.78 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 35' ' ' CYS . . . . . . . . . . . . . 81.6 m -105.94 142.61 35.35 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.525 0.202 . . . . 0.0 110.64 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . 0.409 ' C ' ' HG1' ' C' ' 71' ' ' THR . 31.9 mm -103.76 117.83 49.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 15.5 m -114.05 -166.13 1.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.542 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 74.8 p -63.36 -33.67 76.03 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.167 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt -61.79 -45.0 95.75 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.739 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 58.3 mp0 -69.31 -41.37 76.84 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.26 0.552 . . . . 0.0 110.672 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 41' ' ' LEU . . . . . 0.445 HD12 HD11 ' C' ' 61' ' ' ILE . 20.6 mt -62.75 -30.83 71.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.823 178.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.41 -38.0 92.83 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -70.86 -41.98 70.69 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 121.315 0.579 . . . . 0.0 109.817 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 44' ' ' VAL . . . . . 0.555 HG21 ' CZ ' ' C' ' 27' ' ' PHE . 77.2 t -61.81 -43.63 97.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.3 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 21.7 mmt -61.2 -40.39 93.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.841 -179.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 29.1 mtp-105 -61.7 -39.04 90.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.446 179.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 96.7 mmm -61.82 -38.0 86.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.141 0.496 . . . . 0.0 109.926 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . 0.457 HD13 ' CD1' ' I' ' 148' ' ' ILE . 96.6 mt -76.99 -2.55 34.42 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.024 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 82.6 19.1 64.56 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 111.314 -0.714 . . . . 0.0 111.314 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 29.1 mm100 -111.93 145.12 40.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.895 0.379 . . . . 0.0 110.408 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -132.05 73.1 78.54 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.443 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -76.67 -168.07 0.53 Allowed 'Trans proline' 0 C--N 1.308 -1.591 0 C-N-CA 122.678 2.252 . . . . 0.0 111.356 179.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 3.0 p -123.45 157.07 62.97 Favored Pre-proline 0 CA--C 1.537 0.447 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.058 -179.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -51.24 -36.57 57.01 Favored 'Trans proline' 0 N--CA 1.499 1.845 0 C-N-CA 121.906 1.737 . . . . 0.0 112.372 179.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.15 -53.37 59.06 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 112.902 0.705 . . . . 0.0 112.902 -178.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -71.41 -30.71 66.41 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.024 -0.67 . . . . 0.0 110.058 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 82.9 mt -64.27 -39.64 94.35 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.091 178.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 24.2 tm0? -64.05 -42.26 97.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.524 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -63.19 -40.6 97.96 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.298 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 66.7 mmm -60.3 -43.58 96.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.307 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 61' ' ' ILE . . . . . 0.445 HD11 HD12 ' C' ' 41' ' ' LEU . 97.0 mt -68.17 -40.53 82.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.566 179.345 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -57.72 -35.92 71.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.105 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -57.95 -42.17 84.4 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.733 -178.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 19.6 m -92.18 -27.24 4.76 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.534 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 65' ' ' ASP . . . . . 0.557 ' OD2' ' N ' ' C' ' 69' ' ' SER . 26.2 t0 -70.35 121.16 17.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.874 0.369 . . . . 0.0 110.839 -178.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -81.6 -41.77 21.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.088 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 67' ' ' ASP . . . . . 0.472 ' OD1' ' OD1' ' C' ' 65' ' ' ASP . 37.1 p-10 -93.04 3.25 56.06 Favored 'General case' 0 CA--C 1.52 -0.174 0 C-N-CA 120.471 -0.492 . . . . 0.0 111.807 -179.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 66.84 26.6 73.13 Favored Glycine 0 CA--C 1.52 0.378 0 N-CA-C 110.119 -1.192 . . . . 0.0 110.119 179.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 69' ' ' SER . . . . . 0.557 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 94.3 p -55.7 -23.36 28.3 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.464 -178.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 70' ' ' GLY . . . . . 0.403 ' N ' ' OD2' ' C' ' 65' ' ' ASP . . . 85.97 1.49 86.79 Favored Glycine 0 CA--C 1.518 0.281 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.278 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 71' ' ' THR . . . . . 0.409 ' HG1' ' C ' ' C' ' 36' ' ' ILE . 0.2 OUTLIER -146.57 163.93 34.22 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.131 0.491 . . . . 0.0 110.787 179.529 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 31.1 t -99.24 128.68 50.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.863 -179.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -94.22 175.53 6.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.419 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -58.01 -48.14 80.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.999 0.428 . . . . 0.0 110.732 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -62.31 -44.12 97.25 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.102 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -62.78 -39.16 93.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.724 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -58.06 -49.12 78.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.607 179.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 78' ' ' LEU . . . . . 0.473 ' O ' HG23 ' C' ' 82' ' ' VAL . 10.3 mt -61.47 -45.15 95.45 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.251 -0.579 . . . . 0.0 111.178 179.438 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 73.9 t -68.72 -41.06 82.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -179.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 15.2 tmm? -63.78 -42.38 97.78 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.19 0.519 . . . . 0.0 109.944 -179.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 81' ' ' MET . . . . . 0.6 ' SD ' ' CE2' ' C' ' 20' ' ' PHE . 44.0 ttm -67.41 -43.89 80.15 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.205 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 82' ' ' VAL . . . . . 0.473 HG23 ' O ' ' C' ' 78' ' ' LEU . 60.0 t -63.54 -43.04 98.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.057 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 40.3 ttt180 -60.39 -46.29 90.5 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 120.912 0.387 . . . . 0.0 110.249 -179.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 84' ' ' CYS . . . . . 0.453 ' O ' ' OD1' ' C' ' 87' ' ' ASP . 89.7 m -66.98 -38.27 85.74 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.875 179.231 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 16.3 ttt -58.79 -40.5 84.2 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 -178.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -91.84 -7.7 48.63 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.426 179.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 87' ' ' ASP . . . . . 0.453 ' OD1' ' O ' ' C' ' 84' ' ' CYS . 95.4 m-20 51.57 45.5 27.97 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.562 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 57.2 p-10 -111.54 71.22 0.74 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.388 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 51.3 p . . . . . 0 C--N 1.322 -0.596 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.398 179.776 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' I' I ' 144' ' ' ARG . . . . . . . . . . . . . 58.9 mtm180 . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' I' I ' 145' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -101.45 109.45 21.27 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.473 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 146' ' ' VAL . . . . . . . . . . . . . 15.0 p -66.93 -33.33 62.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.456 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 147' ' ' ARG . . . . . . . . . . . . . 27.9 ttp180 63.71 50.36 2.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.437 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 148' ' ' ILE . . . . . 0.457 ' CD1' HD13 ' C' ' 48' ' ' LEU . 18.4 tt -59.74 142.94 14.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.198 179.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 149' ' ' SER . . . . . 0.415 ' OG ' ' OD1' ' I' ' 151' ' ' ASP . 19.3 t -66.63 135.01 53.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.951 0.405 . . . . 0.0 110.315 -179.389 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 150' ' ' ALA . . . . . . . . . . . . . . . -61.44 -39.94 92.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.419 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 151' ' ' ASP . . . . . 0.579 ' OD1' ' N ' ' I' ' 152' ' ' ALA . 53.0 p-10 -64.27 -38.45 91.09 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.664 -0.415 . . . . 0.0 110.984 -179.494 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 152' ' ' ALA . . . . . 0.579 ' N ' ' OD1' ' I' ' 151' ' ' ASP . . . -62.13 -41.55 98.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.751 0.31 . . . . 0.0 110.721 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 27.4 ttt -61.78 -46.54 89.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.708 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 154' ' ' MET . . . . . . . . . . . . . 20.8 mmt -64.14 -40.13 95.51 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.813 0.34 . . . . 0.0 110.892 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 155' ' ' GLN . . . . . 0.461 HE21 ' HA ' ' I' ' 160' ' ' ALA . 13.5 tm0? -60.81 -45.84 92.84 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.965 179.378 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . -61.87 -40.52 95.67 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.823 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 157' ' ' LEU . . . . . . . . . . . . . 5.2 mp -61.59 -39.85 92.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.222 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 158' ' ' LEU . . . . . . . . . . . . . 20.7 mt -103.4 57.88 0.75 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.553 -179.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 159' ' ' GLY . . . . . 0.448 ' O ' ' O ' ' I' ' 155' ' ' GLN . . . 55.12 -130.79 47.8 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 179.295 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 160' ' ' ALA . . . . . 0.461 ' HA ' HE21 ' I' ' 155' ' ' GLN . . . -124.83 -11.81 7.14 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.869 0.366 . . . . 0.0 110.452 179.566 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 161' ' ' ARG . . . . . . . . . . . . . 91.4 mtm180 -72.0 143.44 49.18 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.684 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 162' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -153.46 25.71 0.52 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.57 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 163' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.95 -40.22 94.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.918 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 164' ' ' GLU . . . . . . . . . . . . . 21.1 tp10 -150.17 84.95 1.39 Allowed 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.758 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 165' ' ' SER . . . . . 0.547 ' O ' ' N ' ' I' ' 167' ' ' ASP . 90.2 p -154.2 154.48 33.57 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.782 179.361 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 166' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' I' ' 165' ' ' SER . 4.4 mt 33.96 -88.65 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.234 0 O-C-N 123.499 0.499 . . . . 0.0 111.139 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 167' ' ' ASP . . . . . 0.547 ' N ' ' O ' ' I' ' 165' ' ' SER . 59.1 t0 55.6 47.22 21.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.897 179.563 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 168' ' ' LEU . . . . . . . . . . . . . 6.3 tp -94.33 74.12 3.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.276 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 169' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -108.0 -18.74 13.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.549 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 170' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.485 -179.976 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 17.5 mmt . . . . . 0 N--CA 1.489 1.475 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 2' ' ' ASP . . . . . 0.483 ' N ' ' OD1' ' C' ' 2' ' ' ASP . 17.5 p-10 -63.1 -22.7 67.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.461 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -62.24 -39.26 92.23 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.65 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 91.4 mt -60.41 -44.87 97.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.823 -179.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 5' ' ' TYR . . . . . 0.425 ' O ' HG23 ' C' ' 9' ' ' VAL . 75.5 m-85 -64.82 -42.53 94.89 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.138 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 22.8 mtpp -63.32 -43.05 98.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.625 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.23 -39.05 93.17 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.949 179.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.29 -41.97 99.02 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.236 -0.586 . . . . 0.0 110.473 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . 0.425 HG23 ' O ' ' C' ' 5' ' ' TYR . 67.9 t -62.61 -47.99 90.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.865 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -68.54 -36.62 79.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.759 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -63.19 -38.23 90.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.581 -179.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 16.4 mt -55.98 147.39 19.87 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 71.7 p -73.72 165.29 25.37 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.582 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 56.8 mp0 -62.94 -38.31 90.53 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.206 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -64.61 -41.32 96.28 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.589 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -62.72 -43.64 98.27 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.095 0.474 . . . . 0.0 110.347 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -66.82 -37.61 84.84 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.425 178.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -60.32 -44.29 95.59 Favored 'General case' 0 N--CA 1.442 -0.853 0 C-N-CA 119.957 -0.697 . . . . 0.0 110.748 -179.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -63.43 -38.93 93.03 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.688 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -61.77 -43.39 98.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.285 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -62.78 -39.27 93.68 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.419 179.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.26 -43.78 95.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.492 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.58 -41.36 98.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.974 0.416 . . . . 0.0 109.997 179.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 24' ' ' PHE . . . . . 0.561 ' CD2' ' CE1' ' C' ' 74' ' ' PHE . 74.7 t80 -61.73 -44.53 96.74 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.397 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -59.81 -40.85 89.78 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.557 -179.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 96.7 mt -71.04 -40.92 76.43 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 CA-C-O 120.988 0.423 . . . . 0.0 110.689 179.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 27' ' ' PHE . . . . . 0.43 ' HB3' HD11 ' C' ' 36' ' ' ILE . 0.9 OUTLIER -55.62 -38.5 69.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 35.9 m -80.82 23.58 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.952 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 1.7 pp -45.03 -39.72 5.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.009 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . -113.86 29.09 8.0 Favored Glycine 0 CA--C 1.531 1.04 0 C-N-CA 121.393 -0.432 . . . . 0.0 112.104 -179.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -130.83 95.86 3.94 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 117.229 0.515 . . . . 0.0 110.395 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -72.99 -14.5 61.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.058 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -73.23 -18.42 61.24 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.654 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.98 14.63 71.88 Favored Glycine 0 CA--C 1.523 0.589 0 C-N-CA 120.473 -0.87 . . . . 0.0 110.961 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 35' ' ' CYS . . . . . . . . . . . . . 21.5 p -128.47 168.32 15.81 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.755 0.312 . . . . 0.0 110.285 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . 0.43 HD11 ' HB3' ' C' ' 27' ' ' PHE . 6.2 mm -119.84 132.24 70.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 121.325 0.583 . . . . 0.0 111.032 -179.424 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 5.5 t -133.08 -165.28 1.59 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.347 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 73.2 p -64.07 -33.44 75.76 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 -179.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -61.53 -52.32 64.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.947 0.403 . . . . 0.0 110.813 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -63.59 -38.87 92.78 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.151 -0.62 . . . . 0.0 110.386 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.59 -39.52 93.99 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.509 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.58 -40.39 98.66 Favored Glycine 0 CA--C 1.525 0.683 0 C-N-CA 120.612 -0.804 . . . . 0.0 111.205 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -64.33 -40.49 95.99 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.272 0.558 . . . . 0.0 110.442 -179.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 77.0 t -67.23 -40.39 84.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.691 179.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 45' ' ' MET . . . . . 0.548 ' SD ' HD21 ' C' ' 57' ' ' LEU . 18.3 mtt -58.33 -31.14 67.28 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.856 -178.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -58.27 -37.69 75.48 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.102 -0.639 . . . . 0.0 109.657 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 28.0 ttt -67.14 -32.49 73.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.723 178.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . 0.612 HD13 ' CD1' ' I' ' 148' ' ' ILE . 90.7 mt -80.74 -10.95 59.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.715 -179.406 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.64 30.31 40.35 Favored Glycine 0 CA--C 1.526 0.736 0 C-N-CA 120.768 -0.73 . . . . 0.0 111.444 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 76.2 mm-40 -124.63 143.87 50.48 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.93 0.395 . . . . 0.0 110.764 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -146.9 71.7 12.37 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.734 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -76.88 -167.94 0.52 Allowed 'Trans proline' 0 C--N 1.307 -1.619 0 C-N-CA 122.955 2.437 . . . . 0.0 112.002 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 1.2 p -94.9 155.74 38.82 Favored Pre-proline 0 C--N 1.323 -0.575 0 C-N-CA 120.349 -0.541 . . . . 0.0 111.443 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -55.13 -33.64 84.71 Favored 'Trans proline' 0 N--CA 1.498 1.778 0 C-N-CA 121.886 1.724 . . . . 0.0 112.399 179.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -63.12 -39.8 95.75 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 121.147 0.498 . . . . 0.0 110.514 -178.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -66.72 -41.23 88.27 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.156 -0.929 . . . . 0.0 109.65 -179.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 57' ' ' LEU . . . . . 0.548 HD21 ' SD ' ' C' ' 45' ' ' MET . 84.1 mt -64.02 -40.22 95.84 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.953 -1.022 . . . . 0.0 110.7 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -65.82 -42.5 90.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.037 -179.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -65.47 -38.93 91.24 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.023 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 4.9 mmm -58.17 -46.66 85.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.471 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.77 -39.21 84.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.552 179.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -59.3 -38.07 79.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.218 -179.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -60.09 -43.75 95.29 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.824 -0.35 . . . . 0.0 111.203 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 10.0 p -87.07 -30.82 5.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.035 0.445 . . . . 0.0 111.054 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 65' ' ' ASP . . . . . 0.475 ' OD2' ' N ' ' C' ' 69' ' ' SER . 64.4 t0 -83.35 109.41 17.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.831 -179.194 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -66.71 -41.25 88.27 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.067 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 67' ' ' ASP . . . . . 0.436 ' OD1' ' OD1' ' C' ' 65' ' ' ASP . 1.8 p30 -76.02 -13.5 60.23 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 120.665 -0.414 . . . . 0.0 111.158 -179.34 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 66.0 21.73 69.94 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 110.636 -0.986 . . . . 0.0 110.636 178.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 69' ' ' SER . . . . . 0.475 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 88.5 p -60.05 -20.74 59.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.767 0.318 . . . . 0.0 110.571 -179.204 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.31 3.18 90.19 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 179.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 82.3 p -128.12 157.15 41.55 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 47.6 t -116.43 126.03 73.71 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -100.85 -174.34 2.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.197 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 74' ' ' PHE . . . . . 0.561 ' CE1' ' CD2' ' C' ' 24' ' ' PHE . 23.3 m-85 -60.03 -46.84 88.19 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.233 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 75' ' ' ASP . . . . . 0.481 ' O ' HG23 ' C' ' 79' ' ' VAL . 5.9 m-20 -63.58 -43.77 96.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.069 0.461 . . . . 0.0 110.588 179.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -66.97 -39.03 87.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.826 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 77' ' ' PHE . . . . . 0.553 ' CD2' HD12 ' C' ' 78' ' ' LEU . 2.6 t80 -58.31 -49.12 78.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.727 179.336 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 78' ' ' LEU . . . . . 0.553 HD12 ' CD2' ' C' ' 77' ' ' PHE . 6.5 mp -64.49 -41.04 96.7 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.33 -0.548 . . . . 0.0 110.553 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 79' ' ' VAL . . . . . 0.481 HG23 ' O ' ' C' ' 75' ' ' ASP . 75.2 t -65.38 -38.74 83.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.24 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 12.7 tmm? -62.32 -41.67 98.74 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.192 0.52 . . . . 0.0 110.013 -179.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 81' ' ' MET . . . . . 0.43 ' C ' ' SD ' ' C' ' 81' ' ' MET . 1.5 tmt? -63.45 -48.09 79.17 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.561 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 75.1 t -68.1 -41.46 84.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.74 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 76.5 ttt-85 -59.31 -44.58 92.53 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.965 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 84' ' ' CYS . . . . . 0.558 ' SG ' ' N ' ' C' ' 85' ' ' MET . 9.6 p -65.19 -39.62 93.12 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.105 -179.604 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 85' ' ' MET . . . . . 0.558 ' N ' ' SG ' ' C' ' 84' ' ' CYS . 16.3 tpt -67.88 -42.1 81.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.781 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -62.56 -42.08 99.31 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 120.942 0.401 . . . . 0.0 110.532 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 87' ' ' ASP . . . . . . . . . . . . . 12.6 t70 64.05 -172.43 0.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.392 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -119.9 72.87 0.94 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.376 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 2.6 p . . . . . 0 C--N 1.324 -0.535 0 CA-C-O 118.104 -0.951 . . . . 0.0 110.757 179.804 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' I' I ' 144' ' ' ARG . . . . . . . . . . . . . 36.2 ptt-85 . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' I' I ' 145' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.73 -39.04 92.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.423 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 146' ' ' VAL . . . . . . . . . . . . . 11.9 t 44.71 73.53 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.3 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 147' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -133.14 151.23 51.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.412 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 148' ' ' ILE . . . . . 0.612 ' CD1' HD13 ' C' ' 48' ' ' LEU . 20.0 tt -138.9 130.58 36.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.43 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' I' I ' 149' ' ' SER . . . . . . . . . . . . . 66.8 m -78.19 142.29 38.06 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.575 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 150' ' ' ALA . . . . . 0.501 ' O ' ' SD ' ' I' ' 154' ' ' MET . . . -61.15 -29.37 69.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.591 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' I' I ' 151' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -59.57 -38.35 80.93 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.456 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . -60.89 -40.79 94.39 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.496 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 59.6 mtt -62.09 -44.15 97.3 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.913 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 154' ' ' MET . . . . . 0.575 ' N ' ' SD ' ' I' ' 154' ' ' MET . 0.0 OUTLIER -64.47 -42.97 95.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.854 0.359 . . . . 0.0 110.777 179.668 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -66.75 -40.99 88.5 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.446 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . -63.04 -39.83 95.9 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.736 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 157' ' ' LEU . . . . . . . . . . . . . 5.7 mt -61.95 113.51 2.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.339 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 158' ' ' LEU . . . . . . . . . . . . . 88.1 mt 39.38 -107.41 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.507 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 159' ' ' GLY . . . . . . . . . . . . . . . -146.53 32.24 1.49 Allowed Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.819 -0.912 . . . . 0.0 110.819 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 160' ' ' ALA . . . . . . . . . . . . . . . -60.36 141.26 56.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.793 0.33 . . . . 0.0 110.383 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 161' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -130.23 135.26 47.94 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.356 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' I' I ' 162' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -110.98 126.45 54.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.453 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 163' ' ' LYS . . . . . . . . . . . . . 37.6 pttt -60.09 -25.54 65.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.716 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 164' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -57.66 116.32 3.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.442 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 165' ' ' SER . . . . . 0.533 ' C ' ' H ' ' I' ' 167' ' ' ASP . 33.8 p -105.62 55.47 0.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.498 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' I' I ' 166' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.62 -6.63 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.8 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' I' I ' 167' ' ' ASP . . . . . 0.533 ' H ' ' C ' ' I' ' 165' ' ' SER . 98.9 m-20 -60.42 -38.33 83.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' I' I ' 168' ' ' LEU . . . . . . . . . . . . . 22.8 mt -103.18 111.6 24.06 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.293 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 169' ' ' ARG . . . . . 0.559 ' O ' ' HB3' ' I' ' 170' ' ' ALA . 83.2 mtt85 39.68 -109.81 0.09 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.447 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' I' I ' 170' ' ' ALA . . . . . 0.559 ' HB3' ' O ' ' I' ' 169' ' ' ARG . . . . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 117.906 -1.045 . . . . 0.0 110.413 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 5.2 ptp . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -99.05 8.68 44.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.854 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -60.43 -40.05 89.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.059 -179.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 46.1 mm -64.43 -44.81 97.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.391 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 5' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -66.13 -38.66 88.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.317 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 36.4 mtpt -56.81 -49.16 76.2 Favored 'General case' 0 CA--C 1.513 -0.447 0 C-N-CA 120.434 -0.506 . . . . 0.0 109.689 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.7 -40.78 98.21 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.374 179.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.55 -44.09 95.17 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 119.788 -0.765 . . . . 0.0 110.12 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 65.5 t -67.81 -47.0 81.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.14 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 72.6 tt0 -61.6 -33.1 73.32 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.32 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 43.2 tp60 -60.48 -35.92 77.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.084 -179.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . 0.412 ' CB ' ' HZ3' ' C' ' 17' ' ' LYS . 5.7 mp -50.24 170.69 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.439 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 59.0 p -99.05 163.53 12.54 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.222 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.54 -39.02 92.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.727 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -67.24 -45.02 77.99 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.634 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -61.52 -42.04 98.21 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 17' ' ' LYS . . . . . 0.412 ' HZ3' ' CB ' ' C' ' 12' ' ' LEU . 17.6 mtmm -64.75 -37.64 88.28 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.058 178.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -60.79 -43.51 98.02 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 119.623 -0.831 . . . . 0.0 110.688 -178.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -65.43 -38.67 90.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.138 0.494 . . . . 0.0 110.73 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -62.87 -41.34 99.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.551 -179.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 5.4 tttp -62.22 -39.98 94.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.112 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.86 -41.24 95.5 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.548 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.01 -39.29 91.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.267 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 24' ' ' PHE . . . . . 0.621 ' CD2' ' CE1' ' C' ' 74' ' ' PHE . 82.2 t80 -58.74 -46.22 87.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.091 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -58.42 -45.17 88.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.403 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.59 -41.9 91.73 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 CA-C-O 121.078 0.466 . . . . 0.0 110.471 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -53.0 -39.43 63.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.829 -179.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . 0.566 ' HB ' ' HB3' ' C' ' 31' ' ' ALA . 27.3 m -84.3 25.25 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.08 -179.418 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 29' ' ' LEU . . . . . 0.425 HD12 ' N ' ' C' ' 30' ' ' GLY . 1.7 pp -42.44 -42.19 3.17 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.509 179.491 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 30' ' ' GLY . . . . . 0.425 ' N ' HD12 ' C' ' 29' ' ' LEU . . . -105.47 15.84 45.51 Favored Glycine 0 CA--C 1.53 1.017 0 C-N-CA 121.25 -0.5 . . . . 0.0 112.421 -179.204 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 31' ' ' ALA . . . . . 0.566 ' HB3' ' HB ' ' C' ' 28' ' ' VAL . . . -117.46 102.68 9.41 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 117.307 0.553 . . . . 0.0 111.305 -179.338 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -71.39 -20.34 62.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.463 179.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -70.46 -19.25 62.98 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.491 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.77 11.15 82.11 Favored Glycine 0 CA--C 1.521 0.429 0 N-CA-C 110.601 -0.999 . . . . 0.0 110.601 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 35' ' ' CYS . . . . . . . . . . . . . 79.3 m -119.54 147.05 44.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.946 0.403 . . . . 0.0 110.649 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 96.7 mt -94.22 127.05 46.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.066 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 22.2 t -136.43 -164.87 1.63 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.153 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 73.2 p -63.64 -29.74 70.94 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.496 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 64.8 mmtt -62.22 -47.24 85.3 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.007 0.432 . . . . 0.0 110.763 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -68.49 -40.38 80.92 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 121.24 0.543 . . . . 0.0 110.306 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 1.6 mp -67.7 -34.91 77.81 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.025 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.44 -41.28 99.5 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -66.33 -40.96 90.22 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-O 121.265 0.555 . . . . 0.0 110.346 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 54.6 t -62.12 -45.34 98.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.743 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 19.8 mmt -61.57 -40.54 95.11 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.748 -179.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -62.99 -41.03 99.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.523 -179.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 61.0 ttp -62.23 -38.14 88.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.156 0.503 . . . . 0.0 110.238 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 89.6 mt -64.56 -17.69 64.17 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.514 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 93.47 14.76 52.77 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 26.4 mm100 -105.32 145.91 30.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.763 0.316 . . . . 0.0 110.158 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -134.89 66.64 68.98 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.542 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_endo -77.36 -171.56 1.2 Allowed 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 123.198 2.599 . . . . 0.0 111.934 179.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.02 153.66 41.8 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.059 -179.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -60.24 -28.99 88.01 Favored 'Trans proline' 0 N--CA 1.5 1.898 0 C-N-CA 122.762 2.308 . . . . 0.0 112.844 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -61.81 -37.24 83.69 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.374 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -66.28 -40.16 89.87 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.183 -179.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 57' ' ' LEU . . . . . 0.45 HD12 ' N ' ' C' ' 57' ' ' LEU . 11.0 mp -60.72 -41.85 96.12 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.157 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -67.29 -41.05 86.08 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.059 -0.656 . . . . 0.0 110.176 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -61.9 -39.98 93.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.04 -179.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 17.0 tpt -61.02 -46.21 91.68 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 96.4 mt -68.43 -39.67 81.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.681 179.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 62' ' ' ASP . . . . . 0.415 ' OD1' ' O ' ' C' ' 62' ' ' ASP . 65.2 t0 -55.71 -35.97 66.69 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.078 -179.141 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -57.11 -29.82 63.86 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.133 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 15.5 t -106.66 -30.97 2.56 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 65' ' ' ASP . . . . . 0.541 ' OD2' ' N ' ' C' ' 71' ' ' THR . 9.1 m-20 -81.44 91.58 6.33 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 121.093 0.473 . . . . 0.0 111.081 -179.511 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -63.95 -37.42 87.36 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.421 179.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 57.7 p30 -74.67 -11.41 60.17 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.005 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 69.57 14.96 70.3 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 110.756 -0.937 . . . . 0.0 110.756 179.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 96.9 p -61.82 -21.67 64.83 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 121.0 -0.28 . . . . 0.0 110.826 -179.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 79.97 12.34 83.5 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 71' ' ' THR . . . . . 0.541 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 60.4 p -128.4 154.05 46.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.887 0.375 . . . . 0.0 110.736 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 71.3 t -120.82 124.64 72.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.592 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -102.21 -172.05 2.07 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.354 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 74' ' ' PHE . . . . . 0.621 ' CE1' ' CD2' ' C' ' 24' ' ' PHE . 49.5 m-85 -60.17 -43.32 95.91 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.666 -0.414 . . . . 0.0 111.053 -179.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -64.35 -50.98 65.61 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.941 0.401 . . . . 0.0 110.809 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.87 -37.98 87.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.354 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -57.07 -48.36 78.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.935 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 90.1 mt -62.74 -40.75 98.19 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.251 -0.58 . . . . 0.0 110.302 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 67.2 t -65.55 -40.1 87.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.429 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 15.6 tmm? -62.57 -40.59 97.34 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-O 121.343 0.592 . . . . 0.0 110.049 -179.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 8.4 tpt -65.75 -45.01 84.21 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.451 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 63.9 t -64.8 -42.83 95.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.734 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 58.7 ttt85 -60.51 -43.65 96.84 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 121.018 0.437 . . . . 0.0 110.206 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 84' ' ' CYS . . . . . . . . . . . . . 89.3 m -62.78 -39.9 95.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.666 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 13.3 tpt -60.5 -42.61 96.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.647 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -88.72 -4.77 58.45 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.572 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 87' ' ' ASP . . . . . 0.484 ' O ' ' N ' ' C' ' 89' ' ' SER . 66.0 m-20 47.96 -102.5 0.09 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.834 179.48 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -64.93 71.41 0.03 OUTLIER 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 121.329 0.585 . . . . 0.0 110.326 -179.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . 0.484 ' N ' ' O ' ' C' ' 87' ' ' ASP . 2.7 m . . . . . 0 C--N 1.318 -0.769 0 CA-C-N 114.866 -1.061 . . . . 0.0 110.726 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 144' ' ' ARG . . . . . 0.52 ' O ' ' N ' ' I' ' 146' ' ' VAL . 21.8 mtm-85 . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 145' ' ' ARG . . . . . 0.561 ' C ' HG23 ' I' ' 146' ' ' VAL . 0.2 OUTLIER 62.95 -67.32 0.09 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.644 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' I' I ' 146' ' ' VAL . . . . . 0.561 HG23 ' C ' ' I' ' 145' ' ' ARG . 1.9 t 70.47 11.2 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.504 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 147' ' ' ARG . . . . . . . . . . . . . 47.2 mmm-85 -75.56 -99.39 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.119 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 148' ' ' ILE . . . . . . . . . . . . . 96.1 mt -106.24 113.43 42.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 121.042 0.449 . . . . 0.0 110.538 179.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 149' ' ' SER . . . . . . . . . . . . . 40.4 t -72.95 147.74 44.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.601 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 150' ' ' ALA . . . . . . . . . . . . . . . -59.78 -39.66 85.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.493 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 151' ' ' ASP . . . . . 0.42 ' OD1' ' CE1' ' I' ' 162' ' ' HIS . 63.8 t0 -60.24 -47.65 85.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.726 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . -63.24 -40.53 97.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.994 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 14.6 tpt -60.91 -46.67 89.75 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 121.216 0.532 . . . . 0.0 110.478 -179.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 154' ' ' MET . . . . . 0.487 ' O ' ' O ' ' I' ' 157' ' ' LEU . 21.6 mmt -63.57 -41.11 98.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.234 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -65.18 -39.05 92.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.848 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . -60.28 -40.53 90.76 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.206 -179.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 157' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' I' ' 159' ' ' GLY . 0.7 OUTLIER -130.89 -150.1 0.42 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.287 -179.624 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' I' I ' 158' ' ' LEU . . . . . . . . . . . . . 6.5 tp 50.68 -88.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.816 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 159' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' I' ' 157' ' ' LEU . . . -133.72 127.39 4.61 Favored Glycine 0 CA--C 1.521 0.454 0 N-CA-C 110.766 -0.933 . . . . 0.0 110.766 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 160' ' ' ALA . . . . . . . . . . . . . . . -62.18 -39.61 93.28 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.793 0.33 . . . . 0.0 110.499 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 161' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -101.94 123.2 45.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.392 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 162' ' ' HIS . . . . . 0.42 ' CE1' ' OD1' ' I' ' 151' ' ' ASP . 7.2 p80 -161.16 163.61 31.14 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 178.484 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 163' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -114.29 153.79 29.1 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 164' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -39.9 126.95 2.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.934 0.397 . . . . 0.0 110.906 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 165' ' ' SER . . . . . . . . . . . . . 11.9 t -101.61 -52.87 3.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.07 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 166' ' ' LEU . . . . . 0.423 ' H ' HD23 ' I' ' 166' ' ' LEU . 0.1 OUTLIER -87.08 84.68 7.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.23 -179.428 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' I' I ' 167' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -86.09 -9.69 56.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.08 0.467 . . . . 0.0 110.302 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 168' ' ' LEU . . . . . . . . . . . . . 29.0 mt -77.7 157.86 29.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.78 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 169' ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -61.25 -38.31 86.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.118 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 170' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 118.024 -0.988 . . . . 0.0 111.076 179.663 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 12.0 ptm . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 2' ' ' ASP . . . . . 0.643 ' OD2' HD12 ' C' ' 4' ' ' ILE . 53.5 p-10 -76.28 169.75 17.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.822 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 48.0 p30 -64.58 -14.28 57.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.332 -179.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 4' ' ' ILE . . . . . 0.643 HD12 ' OD2' ' C' ' 2' ' ' ASP . 97.1 mt -63.72 -39.61 86.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.054 0.454 . . . . 0.0 110.346 179.165 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 5' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -60.0 -44.22 94.69 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.981 -179.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt -61.62 -45.41 94.18 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.254 -0.578 . . . . 0.0 110.211 179.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.5 -39.01 91.37 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.6 178.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.76 -43.4 98.9 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.031 -0.668 . . . . 0.0 110.08 -179.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 56.0 t -61.52 -47.54 92.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.252 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -65.83 -33.73 76.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.234 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -61.35 -36.62 80.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.258 -179.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 93.5 mt -39.58 147.71 0.08 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.039 0.447 . . . . 0.0 110.898 179.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 13' ' ' THR . . . . . 0.45 ' OG1' ' OE1' ' C' ' 16' ' ' GLN . 70.3 p -76.11 168.83 19.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.907 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -61.63 -28.9 69.7 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.619 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -71.54 -48.17 50.33 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.912 179.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 16' ' ' GLN . . . . . 0.45 ' OE1' ' OG1' ' C' ' 13' ' ' THR . 7.0 mp0 -61.8 -33.52 74.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.14 179.411 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.1 -41.59 34.7 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.95 178.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -64.7 -41.42 96.03 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.058 -0.657 . . . . 0.0 111.288 -179.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . 0.43 ' CD ' ' N ' ' C' ' 20' ' ' PHE . 3.0 pp20? -70.21 -38.75 75.35 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.293 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . 0.481 ' CD1' ' C ' ' C' ' 20' ' ' PHE . 0.0 OUTLIER -54.23 -51.26 65.02 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.691 179.351 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 21' ' ' LYS . . . . . 0.401 ' N ' ' CG ' ' C' ' 20' ' ' PHE . 13.0 tttm -59.45 -48.01 83.3 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.565 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.26 -41.41 99.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.077 0.465 . . . . 0.0 110.402 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.62 -39.73 94.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.782 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 24' ' ' PHE . . . . . 0.619 ' CD2' ' CE1' ' C' ' 74' ' ' PHE . 50.5 t80 -60.82 -42.55 97.91 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.148 -179.3 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -59.95 -44.4 94.43 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.961 0.41 . . . . 0.0 110.416 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 97.3 mt -67.34 -41.55 86.52 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.635 0 CA-C-O 121.259 0.552 . . . . 0.0 110.265 178.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.51 -41.16 76.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.805 -179.649 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . 0.48 ' HB ' ' HB3' ' C' ' 31' ' ' ALA . 26.4 m -89.46 28.61 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.046 -179.467 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 2.1 pp -43.06 -41.77 3.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.22 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . -107.1 15.55 39.69 Favored Glycine 0 CA--C 1.525 0.676 0 C-N-CA 121.376 -0.44 . . . . 0.0 112.075 -178.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 31' ' ' ALA . . . . . 0.48 ' HB3' ' HB ' ' C' ' 28' ' ' VAL . . . -125.01 86.08 2.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.32 0.581 . . . . 0.0 110.44 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -65.5 -22.91 66.78 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.305 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -69.96 -17.6 63.32 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.383 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 84.57 18.33 62.22 Favored Glycine 0 CA--C 1.52 0.347 0 N-CA-C 110.759 -0.936 . . . . 0.0 110.759 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 35' ' ' CYS . . . . . . . . . . . . . 74.6 m -118.61 143.34 46.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.674 0.273 . . . . 0.0 110.298 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 65.8 mt -114.72 123.86 70.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.847 -179.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 2.1 m -134.29 -167.82 2.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.829 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 67.6 p -64.76 -27.03 68.62 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.4 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 39' ' ' LYS . . . . . 0.435 ' CG ' ' N ' ' C' ' 40' ' ' GLU . 54.9 pttt -62.74 -40.75 98.21 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.846 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 40' ' ' GLU . . . . . 0.435 ' N ' ' CG ' ' C' ' 39' ' ' LYS . 0.7 OUTLIER -84.31 -38.19 20.72 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.017 0.436 . . . . 0.0 110.537 179.642 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.05 -24.23 62.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.194 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.14 -34.8 81.31 Favored Glycine 0 CA--C 1.529 0.915 0 N-CA-C 110.56 -1.016 . . . . 0.0 110.56 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -84.7 -35.85 22.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.011 0.434 . . . . 0.0 110.82 179.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 79.9 t -62.52 -45.23 99.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.723 -179.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 20.6 ptt? -64.87 -32.36 74.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.137 -179.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 9.5 tmm_? -61.01 -45.13 96.04 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.273 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 59.9 ttm -61.34 -40.91 96.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.107 0.479 . . . . 0.0 109.959 179.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 96.3 mt -68.86 -8.64 45.71 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.737 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.98 24.35 64.43 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 60.8 mm-40 -115.86 133.15 56.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.836 0.35 . . . . 0.0 110.566 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 33.2 m120 -130.23 68.21 80.84 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.107 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -73.78 -171.07 0.78 Allowed 'Trans proline' 0 C--N 1.307 -1.605 0 C-N-CA 122.803 2.335 . . . . 0.0 111.534 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 1.2 p -94.96 156.68 37.7 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.194 -179.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -52.92 -38.47 79.26 Favored 'Trans proline' 0 N--CA 1.503 2.056 0 C-N-CA 122.227 1.951 . . . . 0.0 113.131 179.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -62.52 -37.91 87.91 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-O 121.275 0.56 . . . . 0.0 111.101 -178.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -65.93 -41.88 90.81 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.87 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 96.1 mt -62.82 -40.44 97.38 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.085 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -64.93 -43.11 93.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.27 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -65.26 -37.93 88.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.012 179.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 67.5 mtp -59.62 -44.72 93.36 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.441 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 61' ' ' ILE . . . . . 0.419 HG21 ' C ' ' C' ' 70' ' ' GLY . 97.1 mt -70.83 -42.17 77.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.663 179.166 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -57.11 -37.04 71.39 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.216 -179.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -62.42 -41.74 98.92 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 33.3 m -97.29 -12.41 8.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 C-N-CA 120.547 -0.461 . . . . 0.0 111.382 -179.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 65' ' ' ASP . . . . . 0.586 ' CG ' ' H ' ' C' ' 68' ' ' GLY . 66.4 t0 -75.52 127.06 32.26 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.892 0.377 . . . . 0.0 110.756 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -79.43 -27.6 41.7 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.022 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.19 -11.47 17.24 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.486 -179.554 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 68' ' ' GLY . . . . . 0.586 ' H ' ' CG ' ' C' ' 65' ' ' ASP . . . 69.09 15.09 69.25 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.616 -0.994 . . . . 0.0 110.616 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 69' ' ' SER . . . . . 0.529 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 90.3 p -62.36 -20.31 64.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.677 0.275 . . . . 0.0 110.663 -179.498 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 70' ' ' GLY . . . . . 0.419 ' C ' HG21 ' C' ' 61' ' ' ILE . . . 91.75 7.96 64.14 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 72.4 p -129.67 155.48 45.79 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.745 0.307 . . . . 0.0 110.524 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 72.8 t -122.17 123.26 68.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.563 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 73' ' ' ASP . . . . . 0.41 ' H ' ' HB2' ' C' ' 76' ' ' GLU . 2.9 t0 -106.83 -167.52 1.29 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.012 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 74' ' ' PHE . . . . . 0.619 ' CE1' ' CD2' ' C' ' 24' ' ' PHE . 38.1 m-85 -60.49 -47.75 84.79 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -179.354 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -64.37 -44.77 90.35 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.046 0.45 . . . . 0.0 111.064 -179.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . 0.41 ' HB2' ' H ' ' C' ' 73' ' ' ASP . 61.3 mt-10 -67.2 -39.62 86.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.297 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -59.92 -47.61 85.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.872 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 78' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' C' ' 78' ' ' LEU . 84.5 mt -62.21 -41.93 98.83 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.47 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 66.7 t -66.11 -40.43 87.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.357 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 14.7 tmm? -63.41 -39.68 95.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.226 0.536 . . . . 0.0 110.087 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -66.39 -48.0 71.51 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.259 -179.622 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 78.9 t -66.59 -40.7 86.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.035 179.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 50.3 ttt85 -59.65 -43.61 93.85 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 120.904 0.383 . . . . 0.0 110.275 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 84' ' ' CYS . . . . . . . . . . . . . 53.8 t -59.69 -48.86 80.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.525 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 27.0 ttt -63.68 -45.17 91.28 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.632 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 27.5 ttpp -63.79 -40.67 97.22 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.969 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 87' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -49.5 135.12 18.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.604 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 54.0 p-10 -119.74 72.0 0.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.377 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.959 -1.02 . . . . 0.0 110.417 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 144' ' ' ARG . . . . . . . . . . . . . 1.4 tpp180 . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' I' I ' 145' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -61.29 -20.25 62.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.643 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 146' ' ' VAL . . . . . . . . . . . . . 74.9 t -62.26 -43.37 97.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.873 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 147' ' ' ARG . . . . . . . . . . . . . 36.0 mtp85 -110.37 129.17 55.81 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.923 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 148' ' ' ILE . . . . . 0.47 ' O ' ' HB3' ' I' ' 152' ' ' ALA . 15.8 tt -64.92 -32.6 58.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.436 179.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 149' ' ' SER . . . . . . . . . . . . . 79.2 p 39.44 -138.74 0.07 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.532 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 150' ' ' ALA . . . . . . . . . . . . . . . -125.47 -45.71 1.79 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.658 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 151' ' ' ASP . . . . . 0.488 ' OD1' ' N ' ' I' ' 151' ' ' ASP . 15.1 p-10 -60.89 -37.49 82.39 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.795 0.331 . . . . 0.0 110.764 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 152' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' I' ' 148' ' ' ILE . . . -61.97 -42.32 99.0 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.214 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 2.9 ptt? -68.91 -34.66 75.76 Favored 'General case' 0 C--O 1.232 0.148 0 C-N-CA 120.33 -0.548 . . . . 0.0 109.956 -179.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 154' ' ' MET . . . . . . . . . . . . . 56.0 mtt -62.05 -41.62 98.33 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.441 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -63.64 -41.19 98.27 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.59 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . -61.65 -45.69 92.97 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.341 -0.544 . . . . 0.0 110.93 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 157' ' ' LEU . . . . . . . . . . . . . 96.9 mt -71.85 -39.98 69.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.021 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 158' ' ' LEU . . . . . . . . . . . . . 51.7 mt -114.04 -88.83 0.55 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.811 -179.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 159' ' ' GLY . . . . . . . . . . . . . . . 78.54 102.8 0.21 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.674 -0.97 . . . . 0.0 110.674 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 160' ' ' ALA . . . . . . . . . . . . . . . -160.72 -156.12 0.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.009 0.433 . . . . 0.0 110.565 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 161' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 -69.01 -6.19 26.4 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.319 179.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 162' ' ' HIS . . . . . 0.435 ' ND1' ' C ' ' I' ' 162' ' ' HIS . 0.7 OUTLIER -64.35 -15.11 59.77 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.583 -0.447 . . . . 0.0 109.993 -179.852 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' I' I ' 163' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.32 -13.01 0.76 Allowed 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.007 -179.197 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 164' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -59.77 -43.92 94.11 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.436 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 165' ' ' SER . . . . . . . . . . . . . 97.7 p -172.42 169.22 5.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.938 0.399 . . . . 0.0 111.133 179.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 166' ' ' LEU . . . . . 0.431 HD12 ' ND1' ' I' ' 162' ' ' HIS . 0.9 OUTLIER -177.6 -70.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.621 179.245 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' I' I ' 167' ' ' ASP . . . . . . . . . . . . . 57.7 p-10 -102.45 15.28 29.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.024 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 168' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.39 -46.37 76.86 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.81 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 169' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -123.47 111.06 15.87 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.026 0.441 . . . . 0.0 110.393 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 170' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.371 -179.969 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 25.8 tpp . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 54.0 p-10 -65.46 -13.96 59.92 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.627 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -61.04 -38.51 86.42 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.27 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.22 -40.59 88.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.291 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 5' ' ' TYR . . . . . 0.477 ' OH ' HG12 ' C' ' 79' ' ' VAL . 88.8 t80 -58.47 -47.71 83.15 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.451 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -59.79 -46.06 90.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.134 0.492 . . . . 0.0 109.7 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.79 -35.15 78.95 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.753 179.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.43 -43.08 97.14 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.315 -0.554 . . . . 0.0 110.485 -178.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 54.5 t -64.74 -48.71 83.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.289 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.69 -32.4 73.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.423 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -60.39 -25.05 65.6 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.467 -179.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 90.3 mt -56.95 134.73 55.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.999 0.428 . . . . 0.0 110.494 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 66.2 p -78.83 167.46 21.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.407 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -61.12 -39.53 90.35 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.968 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 60.8 mp0 -66.03 -39.88 90.58 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.545 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 79.9 mm-40 -61.92 -42.03 98.63 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.3 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 43.1 mttp -66.74 -37.4 84.57 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.104 179.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -61.86 -41.0 97.29 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 119.846 -0.741 . . . . 0.0 110.535 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -63.76 -37.46 87.43 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.491 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -62.32 -41.7 98.76 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.097 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 21.1 ttmt -60.68 -41.61 95.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.699 178.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.62 -43.69 93.71 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.384 -0.526 . . . . 0.0 110.365 -179.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.37 -41.69 98.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.199 179.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -62.97 -42.12 99.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.609 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 25' ' ' ASP . . . . . 0.431 ' O ' HG22 ' C' ' 28' ' ' VAL . 46.1 t0 -59.77 -41.02 90.17 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.115 0.483 . . . . 0.0 110.218 -179.673 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 96.4 mt -73.19 -39.69 56.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.13 0.49 . . . . 0.0 110.232 178.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 27' ' ' PHE . . . . . 0.404 ' O ' ' OE2' ' C' ' 40' ' ' GLU . 0.5 OUTLIER -54.66 -37.55 65.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.94 -179.481 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . 0.431 HG22 ' O ' ' C' ' 25' ' ' ASP . 27.8 m -78.33 19.73 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.272 -179.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 29' ' ' LEU . . . . . 0.402 HD12 ' N ' ' C' ' 30' ' ' GLY . 2.4 pp -42.96 -39.82 2.74 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.101 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 30' ' ' GLY . . . . . 0.402 ' N ' HD12 ' C' ' 29' ' ' LEU . . . -114.34 27.3 9.05 Favored Glycine 0 CA--C 1.527 0.82 0 C-N-CA 121.385 -0.436 . . . . 0.0 112.077 -179.201 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 31' ' ' ALA . . . . . 0.475 ' N ' ' OE1' ' C' ' 40' ' ' GLU . . . -133.79 97.56 3.94 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 117.061 0.431 . . . . 0.0 110.769 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -71.85 -17.05 62.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.504 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -75.02 -16.41 60.61 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.754 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.25 19.03 63.33 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 35' ' ' CYS . . . . . 0.473 ' C ' HD13 ' C' ' 36' ' ' ILE . 30.7 p -138.52 157.83 45.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.927 0.394 . . . . 0.0 110.207 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . 0.552 HD13 ' N ' ' C' ' 36' ' ' ILE . 1.4 mm -99.79 129.92 49.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.987 0.422 . . . . 0.0 109.958 -179.304 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 39.2 t -138.39 178.95 6.76 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.734 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 68.4 p -58.28 -26.45 62.99 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.295 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 5.4 tmtp? -65.35 -57.1 9.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.501 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 40' ' ' GLU . . . . . 0.475 ' OE1' ' N ' ' C' ' 31' ' ' ALA . 34.2 tt0 -66.52 -39.73 88.8 Favored 'General case' 0 C--N 1.333 -0.123 0 C-N-CA 120.566 -0.454 . . . . 0.0 111.175 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 1.7 tp -57.26 -32.01 66.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.702 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.96 -39.96 97.75 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 -179.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp -71.61 -40.96 69.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.302 0.572 . . . . 0.0 110.542 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 74.9 t -64.57 -44.25 96.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.392 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 20.0 mmt -62.39 -39.39 93.04 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.794 -179.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 4.6 mtm180 -59.88 -41.06 90.75 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.524 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 16.1 tpt -62.72 -38.49 90.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.101 0.477 . . . . 0.0 110.24 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 96.4 mt -65.07 -23.14 67.08 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.506 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.92 20.62 10.41 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.286 -0.726 . . . . 0.0 111.286 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 28.6 mm100 -121.91 144.79 48.65 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.824 0.345 . . . . 0.0 110.443 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -130.21 70.29 82.18 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.478 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -75.48 -166.32 0.35 Allowed 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 122.927 2.418 . . . . 0.0 111.335 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 17.2 p -120.13 152.56 54.65 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.227 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -47.86 -39.73 31.88 Favored 'Trans proline' 0 N--CA 1.496 1.663 0 C-N-CA 122.036 1.824 . . . . 0.0 112.371 179.124 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 55' ' ' GLU . . . . . 0.405 ' HG2' ' H ' ' C' ' 55' ' ' GLU . 1.2 pt-20 -61.18 -42.91 99.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.968 0.413 . . . . 0.0 111.174 -179.614 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -64.88 -41.36 95.7 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.429 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 89.7 mt -66.97 -38.92 86.96 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.207 -179.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.15 -40.86 97.07 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.403 -179.719 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.79 -43.97 97.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.922 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 60.6 mtt -62.89 -43.67 98.18 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.05 0.452 . . . . 0.0 110.466 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 92.2 mt -65.08 -39.06 84.36 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.735 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -58.46 -40.89 83.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.351 -179.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -64.43 -41.43 96.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.957 0.408 . . . . 0.0 110.58 178.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 96.7 t -76.73 -33.01 21.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.858 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 65' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -84.86 120.26 26.26 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.93 0.395 . . . . 0.0 111.015 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 25.9 pt-20 -78.14 -20.97 51.0 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.601 179.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 45.7 p30 -98.51 -8.89 25.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.274 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 67.29 20.74 71.62 Favored Glycine 0 CA--C 1.52 0.387 0 N-CA-C 110.527 -1.029 . . . . 0.0 110.527 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 92.2 p -59.09 -33.14 70.48 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.82 -179.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 95.87 -0.13 62.49 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 72.6 p -136.74 161.22 36.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.67 0.271 . . . . 0.0 110.632 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 95.5 t -111.41 119.43 59.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.363 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 56.4 p30 -98.22 -172.3 2.32 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.462 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.8 -51.47 68.83 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.683 -179.655 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -61.99 -45.51 93.32 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.233 -179.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -68.31 -31.28 70.59 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.521 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -65.46 -46.71 78.78 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.8 178.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.99 -49.26 78.36 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.605 -178.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 79' ' ' VAL . . . . . 0.477 HG12 ' OH ' ' C' ' 5' ' ' TYR . 35.7 m -67.26 -30.11 48.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.1 -179.513 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 80' ' ' MET . . . . . 0.424 ' O ' ' SG ' ' C' ' 84' ' ' CYS . 65.4 ttp -63.55 -42.36 98.37 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 17.4 tpt -66.36 -46.29 77.24 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.773 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 75.9 t -64.57 -46.72 91.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.136 -179.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -63.39 -41.04 98.75 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.686 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 84' ' ' CYS . . . . . 0.424 ' SG ' ' O ' ' C' ' 80' ' ' MET . 96.1 m -65.19 -40.42 94.2 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.677 179.631 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 27.9 ttt -60.8 -48.62 80.96 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.851 -179.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 13.6 pttp -80.79 -23.0 39.58 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.954 0.407 . . . . 0.0 110.63 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 87' ' ' ASP . . . . . . . . . . . . . 9.4 t0 73.26 138.28 0.05 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.957 -179.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -89.36 72.04 8.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.085 0.469 . . . . 0.0 110.248 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 25.1 p . . . . . 0 C--N 1.32 -0.71 0 CA-C-O 117.934 -1.031 . . . . 0.0 110.348 179.805 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' I' I ' 144' ' ' ARG . . . . . . . . . . . . . 4.5 ttm-85 . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' I' I ' 145' ' ' ARG . . . . . . . . . . . . . 34.3 ptt-85 -140.29 143.33 35.82 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.54 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 146' ' ' VAL . . . . . . . . . . . . . 70.1 t -98.51 -50.68 10.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.601 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 147' ' ' ARG . . . . . . . . . . . . . 75.8 mtp180 -90.19 143.85 26.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.707 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 148' ' ' ILE . . . . . . . . . . . . . 88.1 mt -71.75 130.23 35.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.44 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 149' ' ' SER . . . . . . . . . . . . . 65.8 m -99.6 144.2 28.96 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.691 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 150' ' ' ALA . . . . . . . . . . . . . . . -61.24 -39.59 90.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.365 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 151' ' ' ASP . . . . . 0.543 ' OD1' ' N ' ' I' ' 152' ' ' ALA . 3.0 p30 -60.27 -43.37 96.25 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.6 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' I' I ' 152' ' ' ALA . . . . . 0.543 ' N ' ' OD1' ' I' ' 151' ' ' ASP . . . -62.86 -39.88 95.77 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.477 179.265 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 5.9 tpt -62.17 -44.54 96.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.306 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 154' ' ' MET . . . . . . . . . . . . . 32.4 mmt -64.23 -38.82 92.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.767 179.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -60.26 -43.16 96.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.243 -179.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . -62.72 -40.4 97.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.515 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 157' ' ' LEU . . . . . . . . . . . . . 6.4 mp -69.03 132.42 46.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.402 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 158' ' ' LEU . . . . . . . . . . . . . 1.5 mt 56.89 15.29 2.21 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.615 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 159' ' ' GLY . . . . . . . . . . . . . . . 65.64 -150.03 51.7 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.874 -0.891 . . . . 0.0 110.874 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 160' ' ' ALA . . . . . . . . . . . . . . . -106.99 123.08 47.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.818 0.342 . . . . 0.0 110.469 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 161' ' ' ARG . . . . . . . . . . . . . 28.4 ttp180 -163.77 -34.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.659 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 162' ' ' HIS . . . . . 0.414 ' O ' ' C ' ' I' ' 163' ' ' LYS . 2.6 p80 -69.78 2.52 3.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.433 -179.213 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' I' I ' 163' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' I' ' 162' ' ' HIS . 20.2 pttm -36.88 116.4 0.44 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.604 -179.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' I' I ' 164' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -172.48 -55.5 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.49 -179.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 165' ' ' SER . . . . . . . . . . . . . 75.0 m -148.47 65.85 1.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.249 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 166' ' ' LEU . . . . . 0.515 HD11 ' HB2' ' I' ' 151' ' ' ASP . 38.2 tp -61.7 -41.46 97.62 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 -179.431 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' I' I ' 167' ' ' ASP . . . . . 0.428 ' OD1' ' O ' ' I' ' 167' ' ' ASP . 13.1 p30 -102.86 108.47 19.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.901 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' I' I ' 168' ' ' LEU . . . . . . . . . . . . . 59.9 tp -127.16 123.79 37.56 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.015 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 169' ' ' ARG . . . . . . . . . . . . . 11.3 tpp180 -103.84 110.64 22.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.807 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 170' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 118.057 -0.973 . . . . 0.0 110.441 179.981 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 55.81 22.96 5.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.596 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -66.9 -47.28 72.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 26.8 mm -71.48 -37.29 63.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.46 -179.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 5' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -59.14 -48.08 82.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.054 -179.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -61.92 -45.82 92.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.989 0.423 . . . . 0.0 110.028 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' C' ' 11' ' ' GLN . . . -61.88 -37.84 86.09 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.3 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.21 -40.53 90.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.053 0.454 . . . . 0.0 110.315 -179.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 54.6 t -61.42 -45.44 98.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.492 179.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -75.75 -31.89 59.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.678 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 11' ' ' GLN . . . . . 0.452 ' O ' ' C ' ' C' ' 12' ' ' LEU . 41.1 tp60 -63.15 -29.94 71.19 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.723 -178.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . 0.452 ' C ' ' O ' ' C' ' 11' ' ' GLN . 0.9 OUTLIER -31.84 133.77 0.09 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.966 0.413 . . . . 0.0 111.204 -179.275 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 71.6 p -77.93 165.51 24.01 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.621 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.61 -38.49 84.87 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.435 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -63.97 -44.03 93.97 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.787 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -63.29 -40.7 98.1 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.265 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 46.9 mttp -64.15 -39.4 93.93 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.408 179.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -62.6 -48.13 80.77 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 119.942 -0.703 . . . . 0.0 110.945 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.17 -38.63 91.76 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.632 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . 0.507 ' CD2' ' SD ' ' C' ' 81' ' ' MET . 3.7 m-30 -63.61 -43.04 98.06 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.995 -178.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 23.4 mtpp -64.15 -38.22 90.26 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.657 178.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.67 -44.59 93.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.902 0.382 . . . . 0.0 110.284 -179.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.6 -38.45 91.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.334 178.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 24' ' ' PHE . . . . . 0.488 ' CE2' ' CZ ' ' C' ' 74' ' ' PHE . 83.8 t80 -57.76 -46.19 84.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.062 -179.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -60.65 -39.9 90.01 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.971 0.415 . . . . 0.0 110.253 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 95.2 mt -68.51 -40.0 81.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.956 0.408 . . . . 0.0 110.864 179.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -58.14 -39.27 78.33 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.099 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . 0.45 ' C ' ' H ' ' C' ' 30' ' ' GLY . 28.9 m -79.89 19.38 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 120.912 -0.315 . . . . 0.0 111.09 -179.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 29' ' ' LEU . . . . . 0.666 HD12 ' N ' ' C' ' 30' ' ' GLY . 3.1 pp -55.51 -7.94 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.655 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 30' ' ' GLY . . . . . 0.666 ' N ' HD12 ' C' ' 29' ' ' LEU . . . -119.78 6.52 12.37 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -179.545 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -130.71 126.96 37.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.886 0.374 . . . . 0.0 110.535 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 32' ' ' GLU . . . . . 0.4 ' OE1' ' N ' ' C' ' 32' ' ' GLU . 47.2 mp0 -85.32 -21.43 28.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.607 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -75.31 -18.67 59.98 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.502 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.16 6.0 63.44 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 35' ' ' CYS . . . . . . . . . . . . . 84.9 m -104.99 149.89 25.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.603 0.239 . . . . 0.0 110.491 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 67.7 mt -101.67 121.11 52.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 50.0 m -116.22 -167.24 1.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.152 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 40.3 p -62.08 -30.92 71.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.593 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -61.58 -47.7 84.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.014 0.435 . . . . 0.0 110.817 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 36.0 mp0 -64.01 -40.75 97.04 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.537 0.684 . . . . 0.0 110.296 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 41' ' ' LEU . . . . . 0.459 ' O ' ' SD ' ' C' ' 45' ' ' MET . 2.2 mm? -66.45 -33.41 75.63 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.983 179.296 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.73 -39.11 96.22 Favored Glycine 0 CA--C 1.52 0.374 0 N-CA-C 110.684 -0.966 . . . . 0.0 110.684 179.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -66.05 -40.25 90.79 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.192 0.52 . . . . 0.0 110.016 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 56.9 t -61.15 -44.75 98.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.374 179.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 45' ' ' MET . . . . . 0.607 ' N ' ' SD ' ' C' ' 45' ' ' MET . 0.0 OUTLIER -61.43 -39.94 92.65 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.734 -179.363 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 46.5 mtt-85 -60.5 -40.94 93.17 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.35 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 97.9 mtp -64.69 -37.0 86.11 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.58 179.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . 0.458 HD21 ' HG3' ' I' ' 153' ' ' MET . 96.0 mt -74.83 -5.77 45.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.457 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 82.94 20.51 61.01 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 -116.94 141.79 47.77 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.829 0.347 . . . . 0.0 110.357 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -133.69 74.54 70.04 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.374 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -78.3 -170.2 0.93 Allowed 'Trans proline' 0 C--N 1.306 -1.689 0 C-N-CA 122.966 2.444 . . . . 0.0 112.09 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 53' ' ' THR . . . . . 0.409 ' O ' ' HG3' ' C' ' 56' ' ' GLU . 0.8 OUTLIER -99.23 154.05 37.49 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.434 -179.627 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -64.07 -26.54 65.66 Favored 'Trans proline' 0 C--N 1.303 -1.846 0 C-N-CA 121.764 1.643 . . . . 0.0 112.609 179.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -64.35 -50.51 67.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.129 0.49 . . . . 0.0 111.173 -178.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . 0.409 ' HG3' ' O ' ' C' ' 53' ' ' THR . 0.0 OUTLIER -69.29 -32.09 71.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.089 -179.291 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 81.0 mt -64.03 -39.49 94.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.331 178.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -65.68 -40.22 92.12 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.218 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -61.82 -39.09 90.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.447 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 97.0 mtp -61.85 -41.45 97.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.43 179.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 61' ' ' ILE . . . . . 0.559 HG21 ' C ' ' C' ' 70' ' ' GLY . 88.5 mt -62.09 -43.05 97.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.092 179.547 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -61.35 -40.12 93.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.995 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.04 -45.58 92.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.864 -179.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 10.7 p -82.88 -30.53 8.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.789 0.328 . . . . 0.0 110.839 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 65' ' ' ASP . . . . . 0.501 ' OD2' ' N ' ' C' ' 69' ' ' SER . 64.3 t0 -80.93 109.22 15.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.069 0.462 . . . . 0.0 110.734 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -64.85 -40.42 95.12 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.556 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 67' ' ' ASP . . . . . 0.453 ' OD1' ' OD1' ' C' ' 65' ' ' ASP . 1.4 p30 -80.35 -14.39 58.39 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.984 -179.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 64.96 24.09 69.89 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 178.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 69' ' ' SER . . . . . 0.501 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 86.4 p -59.24 -20.39 53.73 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.732 -179.159 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 70' ' ' GLY . . . . . 0.559 ' C ' HG21 ' C' ' 61' ' ' ILE . . . 98.22 -6.59 61.69 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 66.2 p -136.17 161.92 34.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.629 0.252 . . . . 0.0 110.488 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 47.8 t -102.69 128.35 55.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -105.06 -169.85 1.67 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.13 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 74' ' ' PHE . . . . . 0.488 ' CZ ' ' CE2' ' C' ' 24' ' ' PHE . 47.2 m-85 -60.71 -45.75 93.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.43 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.69 -53.8 52.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.141 0.495 . . . . 0.0 111.341 -179.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . 0.451 ' OE2' ' OD1' ' C' ' 65' ' ' ASP . 94.2 mt-10 -64.83 -38.24 90.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.092 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -57.94 -46.37 85.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.803 179.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 76.5 mt -59.65 -41.84 91.45 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.331 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 66.1 t -66.23 -38.48 82.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.108 179.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 59.1 ttp -60.59 -41.66 95.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.107 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 81' ' ' MET . . . . . 0.507 ' SD ' ' CD2' ' C' ' 20' ' ' PHE . 1.0 OUTLIER -66.98 -47.45 71.52 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.82 -179.138 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 73.1 t -64.63 -43.65 96.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.577 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 59.2 ttt85 -61.27 -43.63 98.56 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 120.808 0.337 . . . . 0.0 110.833 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 84' ' ' CYS . . . . . . . . . . . . . 90.2 m -61.61 -41.57 97.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.159 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 47.3 tpp -63.03 -45.68 91.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.367 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -63.46 -40.52 97.35 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.446 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 87' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -48.33 174.19 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.515 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -73.27 70.94 1.19 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.26 0.552 . . . . 0.0 110.062 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . 0.545 ' OG ' ' HB3' ' I' ' 150' ' ' ALA . 26.4 t . . . . . 0 C--N 1.32 -0.685 0 CA-C-O 118.043 -0.979 . . . . 0.0 110.859 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 144' ' ' ARG . . . . . 0.435 ' O ' HG23 ' I' ' 146' ' ' VAL . 10.0 tpp180 . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 145' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -67.89 -27.42 66.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.397 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 146' ' ' VAL . . . . . 0.435 HG23 ' O ' ' I' ' 144' ' ' ARG . 8.4 t 61.95 104.27 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.302 -179.638 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 147' ' ' ARG . . . . . 0.446 ' O ' ' O ' ' I' ' 148' ' ' ILE . 36.0 mmt180 -97.48 15.22 23.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.488 -179.49 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 148' ' ' ILE . . . . . 0.446 ' O ' ' O ' ' I' ' 147' ' ' ARG . 28.5 mt 56.46 117.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.68 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 149' ' ' SER . . . . . 0.446 ' OG ' ' OD1' ' I' ' 151' ' ' ASP . 17.7 t -82.4 119.43 24.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.809 -179.746 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 150' ' ' ALA . . . . . 0.545 ' HB3' ' OG ' ' C' ' 89' ' ' SER . . . -62.88 -40.15 96.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.443 179.527 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 151' ' ' ASP . . . . . 0.446 ' OD1' ' OG ' ' I' ' 149' ' ' SER . 3.8 p-10 -63.38 -39.01 93.35 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.621 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . -60.76 -44.98 96.05 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.488 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 153' ' ' MET . . . . . 0.458 ' HG3' HD21 ' C' ' 48' ' ' LEU . 40.7 ttp -70.34 -43.16 70.8 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.616 179.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 154' ' ' MET . . . . . 0.454 ' O ' ' O ' ' I' ' 157' ' ' LEU . 4.5 tpp -61.83 -21.01 64.27 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.37 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -56.05 -41.25 74.75 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.628 -0.429 . . . . 0.0 109.864 -178.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . -63.45 -39.69 95.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.847 0.356 . . . . 0.0 110.455 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 157' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' I' ' 159' ' ' GLY . 1.3 tt -93.11 114.85 27.48 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.262 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 158' ' ' LEU . . . . . . . . . . . . . 17.9 mt 55.07 -87.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.456 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 159' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' I' ' 157' ' ' LEU . . . 163.37 171.93 30.23 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.874 -0.891 . . . . 0.0 110.874 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 160' ' ' ALA . . . . . 0.765 ' H ' ' CE1' ' I' ' 162' ' ' HIS . . . -145.97 -108.55 0.1 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.674 0.273 . . . . 0.0 110.635 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 161' ' ' ARG . . . . . 0.444 ' C ' ' CG ' ' I' ' 162' ' ' HIS . 79.4 ttt180 -104.88 110.97 23.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.204 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 162' ' ' HIS . . . . . 0.765 ' CE1' ' H ' ' I' ' 160' ' ' ALA . 0.3 OUTLIER 172.48 -104.65 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.203 179.607 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' I' I ' 163' ' ' LYS . . . . . . . . . . . . . 41.8 mtmt -71.26 -15.96 62.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.195 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 164' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -138.55 151.92 47.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.341 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 165' ' ' SER . . . . . . . . . . . . . 70.5 m -96.55 154.95 16.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.603 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 166' ' ' LEU . . . . . 0.673 HD21 ' HA ' ' I' ' 160' ' ' ALA . 89.1 mt -89.14 154.11 20.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.072 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 167' ' ' ASP . . . . . 0.439 ' O ' ' O ' ' I' ' 168' ' ' LEU . 61.9 t0 54.73 38.7 30.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.535 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 168' ' ' LEU . . . . . 0.439 ' O ' ' O ' ' I' ' 167' ' ' ASP . 0.9 OUTLIER 49.64 104.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.021 179.714 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' I' I ' 169' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 53.4 -90.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.449 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 170' ' ' ALA . . . . . 0.43 ' OXT' ' O ' ' I' ' 167' ' ' ASP . . . . . . . . 0 C--O 1.219 -0.529 0 CA-C-O 118.126 -0.94 . . . . 0.0 110.49 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 18.5 mmt . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -60.9 -35.67 77.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.372 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -58.6 -45.62 88.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.932 -179.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 96.5 mt -66.93 -42.41 88.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.991 0.425 . . . . 0.0 110.689 179.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 5' ' ' TYR . . . . . 0.479 ' OH ' ' CG1' ' C' ' 82' ' ' VAL . 85.4 t80 -60.59 -48.48 81.59 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.474 -179.379 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 11.1 tptp -63.21 -41.91 99.22 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.55 -36.59 83.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.487 179.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.97 -42.9 99.64 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.123 -0.631 . . . . 0.0 109.897 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 54.1 t -61.91 -46.82 95.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.533 179.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -68.97 -29.5 67.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.189 179.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 11' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' C' ' 12' ' ' LEU . 50.5 tt0 -61.8 -37.84 85.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.679 -179.65 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' C' ' 11' ' ' GLN . 88.0 mt -38.34 142.01 0.21 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.915 0.388 . . . . 0.0 110.692 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 74.9 p -72.73 163.2 28.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.897 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 14' ' ' GLU . . . . . 0.407 ' O ' ' OD1' ' C' ' 18' ' ' ASN . 24.9 pt-20 -64.49 -34.17 77.59 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.75 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -66.32 -43.43 86.24 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.016 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -63.92 -41.4 97.66 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.039 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -63.98 -39.98 95.37 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.636 179.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 18' ' ' ASN . . . . . 0.407 ' OD1' ' O ' ' C' ' 14' ' ' GLU . 27.9 m120 -63.75 -39.18 93.65 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 119.781 -0.768 . . . . 0.0 111.158 -179.635 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -62.39 -41.06 98.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.882 0.372 . . . . 0.0 111.522 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -70.27 -37.21 74.83 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.405 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -58.83 -45.17 90.64 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.91 -42.99 99.73 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.404 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.01 -41.12 95.94 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.118 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 24' ' ' PHE . . . . . 0.48 ' CD1' ' CZ ' ' C' ' 74' ' ' PHE . 42.3 t80 -59.11 -44.71 92.0 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.385 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -58.94 -41.89 88.49 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.109 -178.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 26' ' ' ILE . . . . . 0.411 ' H ' HG12 ' C' ' 26' ' ' ILE . 17.1 pt -83.78 -20.98 8.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.972 179.508 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 27' ' ' PHE . . . . . 0.458 ' O ' ' OE2' ' C' ' 40' ' ' GLU . 0.5 OUTLIER -62.97 -41.65 99.6 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.195 -0.602 . . . . 0.0 109.69 179.246 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 14.1 m -73.2 18.86 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.67 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 29' ' ' LEU . . . . . 0.498 HD12 ' N ' ' C' ' 30' ' ' GLY . 2.3 pp -42.91 -44.53 4.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.781 0.324 . . . . 0.0 111.225 179.603 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 30' ' ' GLY . . . . . 0.498 ' N ' HD12 ' C' ' 29' ' ' LEU . . . -103.78 14.72 53.0 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.54 -0.624 . . . . 0.0 111.54 -179.378 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -120.99 97.71 5.66 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.153 0.501 . . . . 0.0 110.278 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -74.26 -12.42 60.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.994 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -79.84 -17.8 52.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.621 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.37 5.74 84.75 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 35' ' ' CYS . . . . . . . . . . . . . 80.3 m -126.94 151.65 48.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.683 0.277 . . . . 0.0 110.358 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 5.8 mm -86.09 120.35 35.81 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.189 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 40.2 m -129.36 -178.71 4.78 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.017 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 68.6 p -60.8 -29.56 69.53 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.877 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -62.57 -48.49 79.25 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.65 -0.42 . . . . 0.0 111.137 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 40' ' ' GLU . . . . . 0.458 ' OE2' ' O ' ' C' ' 27' ' ' PHE . 2.3 tt0 -70.69 -39.97 73.18 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-O 121.155 0.502 . . . . 0.0 111.159 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.33 -31.89 67.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.902 -179.221 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 42' ' ' GLY . . . . . 0.494 ' O ' ' NH1' ' C' ' 46' ' ' ARG . . . -61.71 -38.13 95.4 Favored Glycine 0 CA--C 1.527 0.838 0 N-CA-C 111.368 -0.693 . . . . 0.0 111.368 179.6 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.97 -41.49 74.38 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.343 0.592 . . . . 0.0 110.262 -179.142 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 69.2 t -62.71 -43.04 98.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.333 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 22.2 mmt -61.46 -40.02 92.98 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.154 -179.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 46' ' ' ARG . . . . . 0.494 ' NH1' ' O ' ' C' ' 42' ' ' GLY . 82.6 mtt85 -61.77 -39.85 93.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.792 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 21.0 ttt -64.1 -37.28 86.88 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.138 0.494 . . . . 0.0 110.086 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 96.1 mt -73.35 -9.08 58.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.618 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 88.52 16.37 58.75 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.291 -0.723 . . . . 0.0 111.291 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -104.15 150.51 24.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.831 0.348 . . . . 0.0 110.251 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 53.4 p30 -132.23 63.34 67.93 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.403 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -73.3 -170.5 0.66 Allowed 'Trans proline' 0 C--N 1.303 -1.844 0 C-N-CA 122.771 2.314 . . . . 0.0 111.796 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -119.23 154.14 53.6 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.241 -179.512 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo -63.39 -27.93 71.29 Favored 'Trans proline' 0 N--CA 1.494 1.552 0 C-N-CA 122.131 1.887 . . . . 0.0 112.66 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -63.96 -49.0 74.25 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.384 0.612 . . . . 0.0 111.068 -178.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -70.92 -34.63 71.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.166 -0.924 . . . . 0.0 110.422 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 77.4 mt -63.81 -39.64 94.73 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.925 179.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 22.0 tm0? -63.95 -42.94 97.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.625 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -62.23 -38.65 90.04 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.619 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 28.4 ttt -59.5 -46.68 88.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.327 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.76 -40.53 89.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.2 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -59.37 -32.62 70.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.003 -179.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -59.56 -43.52 93.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.893 -179.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 12.5 m -92.17 -28.71 4.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.593 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 65' ' ' ASP . . . . . 0.453 ' OD2' ' N ' ' C' ' 69' ' ' SER . 53.4 t0 -77.63 110.69 12.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.04 0.448 . . . . 0.0 110.386 -179.435 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 58.0 mp0 -67.02 -39.68 87.08 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.767 -179.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 67' ' ' ASP . . . . . 0.431 ' OD1' ' OD1' ' C' ' 65' ' ' ASP . 1.6 p30 -76.71 -13.47 60.04 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.923 -179.521 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 66.54 18.08 67.44 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.51 -1.036 . . . . 0.0 110.51 178.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 69' ' ' SER . . . . . 0.453 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 95.7 p -61.08 -21.5 63.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.686 0.279 . . . . 0.0 110.639 -179.214 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.01 11.24 79.27 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 73.0 p -133.9 157.16 46.68 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 30.6 t -121.93 123.64 69.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 57.2 p30 -97.44 -169.77 1.9 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.407 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 74' ' ' PHE . . . . . 0.48 ' CZ ' ' CD1' ' C' ' 24' ' ' PHE . 25.1 m-85 -60.11 -48.89 79.84 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.59 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -63.25 -45.14 92.93 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.301 -179.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.59 -36.36 80.75 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -57.6 -47.67 81.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.211 179.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -61.85 -39.29 91.33 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.14 -0.624 . . . . 0.0 110.368 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 53.8 t -62.83 -41.93 94.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.193 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 17.0 tmm? -70.14 -37.47 75.28 Favored 'General case' 0 C--N 1.313 -0.987 0 C-N-CA 120.332 -0.547 . . . . 0.0 109.952 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 10.6 tpt -64.71 -49.03 72.48 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.191 -178.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 82' ' ' VAL . . . . . 0.479 ' CG1' ' OH ' ' C' ' 5' ' ' TYR . 5.3 p -67.59 -39.6 82.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.925 0.393 . . . . 0.0 110.295 -179.519 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 83' ' ' ARG . . . . . 0.429 ' N ' HG13 ' C' ' 82' ' ' VAL . 40.1 ttt180 -61.35 -41.01 96.36 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.494 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 84' ' ' CYS . . . . . . . . . . . . . 98.5 m -61.78 -41.5 97.79 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.56 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 88.7 mmm -62.98 -41.21 99.5 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.476 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 50.6 mtpt -70.49 -28.87 65.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.188 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 87' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -60.75 151.31 29.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.405 -179.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -113.95 74.2 0.86 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.514 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.323 -0.555 0 CA-C-O 117.959 -1.02 . . . . 0.0 110.608 179.553 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' I' I ' 144' ' ' ARG . . . . . . . . . . . . . 44.3 ttm180 . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' I' I ' 145' ' ' ARG . . . . . . . . . . . . . 28.9 ttp180 -96.09 -32.46 12.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.982 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 146' ' ' VAL . . . . . 0.613 HG23 ' O ' ' I' ' 146' ' ' VAL . 21.3 m -73.63 119.6 21.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.082 -179.478 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' I' I ' 147' ' ' ARG . . . . . . . . . . . . . 5.4 mtm-85 -67.34 -40.53 85.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.036 179.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 148' ' ' ILE . . . . . . . . . . . . . 96.3 mt -119.68 131.45 72.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.618 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 149' ' ' SER . . . . . . . . . . . . . 87.8 p -123.24 161.45 24.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.405 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 150' ' ' ALA . . . . . 0.498 ' CB ' HD11 ' I' ' 166' ' ' LEU . . . -60.75 -39.54 89.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.463 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' I' I ' 151' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -60.1 -45.63 92.29 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.189 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . -61.63 -43.39 98.95 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.726 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 3.8 mmt -62.88 -45.01 94.55 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.978 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 154' ' ' MET . . . . . . . . . . . . . 91.3 mmm -70.88 -34.04 71.2 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.375 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -58.8 -46.64 87.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.28 -179.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . -69.91 -32.47 70.8 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.036 0.446 . . . . 0.0 109.975 178.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 157' ' ' LEU . . . . . 0.468 ' O ' ' CB ' ' I' ' 158' ' ' LEU . 2.3 tp -64.92 -7.83 13.1 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.74 -179.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' I' I ' 158' ' ' LEU . . . . . 0.468 ' CB ' ' O ' ' I' ' 157' ' ' LEU . 1.4 tp 80.32 37.3 0.11 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.857 0.361 . . . . 0.0 110.298 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' I' I ' 159' ' ' GLY . . . . . . . . . . . . . . . -61.16 -41.29 99.43 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.839 -0.905 . . . . 0.0 110.839 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 160' ' ' ALA . . . . . . . . . . . . . . . 52.73 90.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 121.071 -0.252 . . . . 0.0 111.044 179.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 161' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 57.65 44.24 21.05 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.314 179.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 162' ' ' HIS . . . . . 0.539 ' O ' ' ND1' ' I' ' 162' ' ' HIS . 22.1 p80 -68.23 97.19 0.7 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.511 -179.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' I' I ' 163' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt 47.43 -173.54 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.646 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 164' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -103.96 -18.2 14.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.555 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 165' ' ' SER . . . . . . . . . . . . . 31.2 t -166.85 170.9 11.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.768 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 166' ' ' LEU . . . . . 0.498 HD11 ' CB ' ' I' ' 150' ' ' ALA . 88.0 mt -87.54 -5.55 58.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.481 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' I' I ' 167' ' ' ASP . . . . . . . . . . . . . 49.1 t0 60.29 -126.71 1.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.376 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 168' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -153.97 -66.02 0.14 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.571 179.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' I' I ' 169' ' ' ARG . . . . . . . . . . . . . 36.3 ptt-85 -95.05 145.33 25.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.626 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 170' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.978 -1.01 . . . . 0.0 110.512 -179.995 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 66.8 mtt . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -149.33 -37.72 0.16 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.6 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.29 -37.95 87.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.187 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 36.9 mm -63.03 -42.39 96.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.264 -178.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 5' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -64.0 -41.38 97.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.486 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 68.8 tttt -61.9 -47.44 84.94 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.44 -37.87 88.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.382 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.31 -42.6 99.5 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.172 -0.611 . . . . 0.0 110.373 -179.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 53.1 t -61.84 -47.89 91.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.156 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -70.12 -33.74 72.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.018 0.437 . . . . 0.0 110.603 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 20.1 tm0? -62.48 -39.26 92.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.181 -179.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 43.7 mt -58.73 145.91 38.61 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.943 0.401 . . . . 0.0 110.774 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 13' ' ' THR . . . . . 0.448 ' OG1' ' OE1' ' C' ' 16' ' ' GLN . 65.0 p -70.86 167.43 18.97 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.657 -179.52 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -62.46 -38.33 89.39 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.18 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.95 -45.85 91.89 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.752 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 16' ' ' GLN . . . . . 0.45 ' O ' ' CD2' ' C' ' 20' ' ' PHE . 4.2 mp0 -60.88 -43.45 98.44 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.534 -0.466 . . . . 0.0 110.156 179.417 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 14.6 mmmt -64.49 -40.21 95.24 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.544 179.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -63.9 -40.24 96.05 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 120.407 -0.517 . . . . 0.0 111.591 -179.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -61.9 -43.01 99.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.179 0.514 . . . . 0.0 111.099 -179.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . 0.45 ' CD2' ' O ' ' C' ' 16' ' ' GLN . 18.3 m-85 -70.6 -40.25 73.33 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.134 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -60.09 -40.7 90.48 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.942 179.328 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.73 -42.47 97.37 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.159 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.95 -40.04 94.19 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.314 179.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -59.58 -44.96 93.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.067 179.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -59.29 -39.74 83.94 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.908 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 95.4 mt -68.85 -40.71 81.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.909 0.385 . . . . 0.0 110.721 178.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -56.01 -39.8 72.45 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.629 -0.429 . . . . 0.0 111.262 -179.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 31.4 m -78.21 21.71 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.009 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 1.7 pp -45.55 -29.35 1.15 Allowed 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.824 179.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . -129.38 34.78 2.72 Favored Glycine 0 CA--C 1.528 0.896 0 C-N-CA 121.114 -0.565 . . . . 0.0 112.329 -179.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 31' ' ' ALA . . . . . 0.61 ' HB2' ' OE2' ' C' ' 40' ' ' GLU . . . -124.16 107.22 11.01 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.948 0.404 . . . . 0.0 110.984 179.636 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -71.74 -29.32 64.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.827 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 53.6 p-10 -71.93 -15.95 62.1 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.707 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 81.49 18.44 68.61 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 35' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -124.19 165.19 18.02 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.728 0.299 . . . . 0.0 110.461 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 87.8 mt -106.03 127.37 61.2 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.152 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 4.6 t -131.97 -165.47 1.59 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.045 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 77.3 p -65.97 -25.65 67.2 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.31 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -66.43 -50.68 62.57 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.189 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 40' ' ' GLU . . . . . 0.61 ' OE2' ' HB2' ' C' ' 31' ' ' ALA . 60.2 mp0 -66.24 -42.83 88.05 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 121.076 0.465 . . . . 0.0 110.95 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 18.8 mt -67.92 -36.25 79.86 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.259 179.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.12 -40.22 96.87 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -70.1 -40.52 74.89 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.099 0.476 . . . . 0.0 110.734 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 71.8 t -62.78 -46.53 96.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.843 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 76.2 mtp -63.85 -38.2 90.21 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 120.103 -0.639 . . . . 0.0 110.167 -179.016 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 24.7 tpt85 -59.77 -43.34 94.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.363 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 7.4 tpt -61.23 -38.14 85.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.981 0.42 . . . . 0.0 110.2 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 82.7 mt -64.92 -15.53 62.2 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.663 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 98.6 11.11 48.58 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -98.37 145.69 26.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.982 0.42 . . . . 0.0 110.579 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -129.88 68.91 81.37 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.278 179.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -75.68 -167.85 0.48 Allowed 'Trans proline' 0 C--N 1.307 -1.617 0 C-N-CA 122.939 2.426 . . . . 0.0 111.195 179.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 47.0 p -122.39 151.66 59.78 Favored Pre-proline 0 CA--C 1.535 0.377 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -49.1 -32.82 25.24 Favored 'Trans proline' 0 N--CA 1.496 1.644 0 C-N-CA 122.046 1.831 . . . . 0.0 112.606 179.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -62.68 -41.74 99.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.133 0.492 . . . . 0.0 110.46 -178.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -65.99 -45.2 82.47 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.629 -179.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 11.0 mp -65.2 -40.1 93.72 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.401 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -63.52 -43.93 95.73 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.578 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -65.77 -39.36 90.92 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.722 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 74.7 mtp -58.04 -46.63 85.03 Favored 'General case' 0 CA--C 1.516 -0.352 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.892 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 61' ' ' ILE . . . . . 0.478 HG21 ' C ' ' C' ' 70' ' ' GLY . 96.7 mt -66.73 -40.37 85.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 C-N-CA 120.135 -0.626 . . . . 0.0 110.716 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -59.51 -44.96 92.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.966 -179.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -63.69 -41.33 98.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.854 0.359 . . . . 0.0 110.899 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 90.9 t -78.9 -32.91 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.84 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 65' ' ' ASP . . . . . 0.532 ' OD2' ' N ' ' C' ' 69' ' ' SER . 49.2 t0 -85.5 113.83 22.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.677 -179.344 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -73.2 -35.84 66.43 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.703 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 67' ' ' ASP . . . . . 0.425 ' OD1' ' OD1' ' C' ' 65' ' ' ASP . 0.5 OUTLIER -76.74 -12.46 59.99 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.185 -179.69 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 67.71 19.33 71.14 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 110.751 -0.94 . . . . 0.0 110.751 179.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 69' ' ' SER . . . . . 0.532 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 90.5 p -60.51 -22.98 64.19 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.894 -179.298 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 70' ' ' GLY . . . . . 0.478 ' C ' HG21 ' C' ' 61' ' ' ILE . . . 86.09 2.8 85.65 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 62.8 p -133.57 164.26 27.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.722 0.296 . . . . 0.0 110.578 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 91.8 t -118.41 123.07 71.02 Favored 'Isoleucine or valine' 0 C--O 1.231 0.121 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.404 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 73' ' ' ASP . . . . . 0.448 ' CG ' ' H ' ' C' ' 74' ' ' PHE . 35.2 t0 -100.21 -173.69 2.49 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.249 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 74' ' ' PHE . . . . . 0.463 ' CZ ' HD11 ' C' ' 78' ' ' LEU . 88.2 t80 -59.21 -48.96 79.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.187 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.32 -44.77 95.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -68.33 -36.42 79.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.953 179.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -57.43 -47.95 80.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.433 179.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 78' ' ' LEU . . . . . 0.463 HD11 ' CZ ' ' C' ' 74' ' ' PHE . 25.1 mt -62.07 -40.71 96.73 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 119.979 -0.689 . . . . 0.0 110.39 179.359 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 2.1 t -68.02 -32.63 57.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.125 179.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 3.4 ttt -63.27 -39.37 94.4 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.432 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 4.2 mtp -80.68 -42.01 22.75 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.204 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 82' ' ' VAL . . . . . 0.404 HG23 ' O ' ' C' ' 78' ' ' LEU . 53.4 t -61.43 -40.79 87.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.457 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 7.8 tpt85 -57.7 -45.95 85.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.317 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 84' ' ' CYS . . . . . . . . . . . . . 97.7 m -61.13 -46.52 90.23 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.356 -0.538 . . . . 0.0 111.033 -179.261 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 61.1 mtt -69.53 -42.54 74.51 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.656 -0.418 . . . . 0.0 111.228 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 12.6 ttmt -67.71 -41.57 83.34 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 87' ' ' ASP . . . . . 0.49 ' CG ' ' H ' ' C' ' 88' ' ' ASP . 18.1 t0 62.73 -150.45 0.35 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.212 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 88' ' ' ASP . . . . . 0.49 ' H ' ' CG ' ' C' ' 87' ' ' ASP . 57.7 p30 -123.01 72.02 1.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.398 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 117.909 -1.043 . . . . 0.0 110.622 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 144' ' ' ARG . . . . . . . . . . . . . 76.8 mtm180 . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' I' I ' 145' ' ' ARG . . . . . . . . . . . . . 4.4 ttp180 -143.69 171.44 14.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.39 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 146' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.9 -44.79 98.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.497 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 147' ' ' ARG . . . . . . . . . . . . . 40.3 ttt180 39.69 -139.43 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.491 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 148' ' ' ILE . . . . . . . . . . . . . 19.3 tt -63.01 -27.89 44.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.709 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 149' ' ' SER . . . . . . . . . . . . . 1.4 t 71.98 94.67 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.698 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 150' ' ' ALA . . . . . . . . . . . . . . . -60.73 -38.99 86.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.525 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 151' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -58.8 -50.41 74.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.099 -179.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . -63.34 -40.24 96.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.131 0.491 . . . . 0.0 110.808 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 54.1 ttp -61.3 -43.05 99.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.131 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 154' ' ' MET . . . . . . . . . . . . . 59.5 tpp -62.15 -40.62 96.58 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -59.2 -43.46 92.23 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.548 -179.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . -62.93 -52.78 61.72 Favored 'General case' 0 C--N 1.316 -0.86 0 C-N-CA 119.818 -0.753 . . . . 0.0 110.965 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 157' ' ' LEU . . . . . . . . . . . . . 93.0 mt -43.36 -72.49 0.06 Allowed 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.806 -178.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 158' ' ' LEU . . . . . 0.45 ' H ' HD12 ' I' ' 158' ' ' LEU . 0.3 OUTLIER -132.02 63.86 1.61 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.433 0.635 . . . . 0.0 110.026 -179.475 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' I' I ' 159' ' ' GLY . . . . . 0.522 ' O ' ' HB3' ' I' ' 160' ' ' ALA . . . -145.38 -81.76 0.05 OUTLIER Glycine 0 CA--C 1.523 0.545 0 C-N-CA 120.136 -1.03 . . . . 0.0 111.479 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' I' I ' 160' ' ' ALA . . . . . 0.522 ' HB3' ' O ' ' I' ' 159' ' ' GLY . . . 71.27 57.5 0.19 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.926 0.393 . . . . 0.0 110.769 -179.617 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' I' I ' 161' ' ' ARG . . . . . . . . . . . . . 85.3 mtp180 55.25 43.45 29.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.82 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 162' ' ' HIS . . . . . 0.551 ' ND1' ' O ' ' I' ' 164' ' ' GLU . 9.3 p80 -63.84 -19.97 65.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.38 179.607 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' I' I ' 163' ' ' LYS . . . . . . . . . . . . . 33.8 tttp 44.26 38.9 2.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.524 179.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 164' ' ' GLU . . . . . 0.551 ' O ' ' ND1' ' I' ' 162' ' ' HIS . 18.2 tp10 -150.29 132.44 15.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.459 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' I' I ' 165' ' ' SER . . . . . . . . . . . . . 1.1 t 73.2 -173.73 0.15 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.66 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 166' ' ' LEU . . . . . . . . . . . . . 1.5 tp 39.32 91.99 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.613 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 167' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -84.01 138.95 32.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.435 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 168' ' ' LEU . . . . . . . . . . . . . 1.1 tt -62.0 -42.84 99.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.136 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 169' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -96.73 103.46 15.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.271 179.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 170' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.08 -0.962 . . . . 0.0 110.534 179.804 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 39.9 mtt . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 2' ' ' ASP . . . . . 0.547 ' OD1' ' N ' ' C' ' 3' ' ' ASP . 2.5 p30 -62.85 -47.33 83.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 3' ' ' ASP . . . . . 0.547 ' N ' ' OD1' ' C' ' 2' ' ' ASP . 99.1 m-20 -61.29 -42.04 97.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.503 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 4' ' ' ILE . . . . . 0.403 ' O ' ' N ' ' C' ' 8' ' ' ALA . 4.5 mm -66.78 -38.94 82.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.542 178.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 5' ' ' TYR . . . . . . . . . . . . . 31.6 t80 -53.97 -52.65 60.02 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.969 -178.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -62.67 -44.12 97.08 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.005 0.431 . . . . 0.0 110.513 178.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.22 -36.06 80.8 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.203 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' C' ' 4' ' ' ILE . . . -59.81 -41.53 91.44 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.777 0.322 . . . . 0.0 110.472 -179.219 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 55.6 t -63.68 -46.86 93.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.959 179.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 -71.65 -36.36 70.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.143 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -63.01 -39.22 94.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.03 -179.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 8.6 mt -43.43 132.15 4.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.664 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 82.0 p -70.37 165.41 22.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.733 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -63.41 -37.68 88.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.512 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -62.1 -44.96 95.53 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.358 -179.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -64.06 -41.16 97.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.471 179.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.73 -39.76 95.07 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.718 179.181 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -62.49 -40.01 95.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.615 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -61.57 -43.99 97.84 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.716 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -66.1 -39.05 89.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.506 179.294 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 56.8 tttm -60.4 -42.04 95.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.153 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.76 -40.82 93.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.178 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.75 -38.6 88.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.418 179.196 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -58.5 -46.44 86.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.185 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -60.14 -41.4 92.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.323 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 97.9 mt -69.47 -37.65 75.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.337 0.589 . . . . 0.0 110.211 178.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.56 -40.54 75.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.577 -178.566 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 29.2 m -82.06 23.19 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.085 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 29' ' ' LEU . . . . . 0.654 HD12 ' N ' ' C' ' 30' ' ' GLY . 3.8 pp -60.21 -10.34 4.41 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.49 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 30' ' ' GLY . . . . . 0.654 ' N ' HD12 ' C' ' 29' ' ' LEU . . . -125.17 15.03 7.36 Favored Glycine 0 CA--C 1.522 0.479 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.589 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 31' ' ' ALA . . . . . 0.4 ' CB ' ' O ' ' C' ' 35' ' ' CYS . . . -125.12 124.21 41.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.794 0.33 . . . . 0.0 110.616 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -86.5 -14.04 44.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.572 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -93.25 -7.48 44.96 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.587 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 81.07 17.13 72.87 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 35' ' ' CYS . . . . . 0.4 ' O ' ' CB ' ' C' ' 31' ' ' ALA . 31.3 p -112.58 158.22 20.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.746 0.308 . . . . 0.0 110.563 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 87.5 mt -110.87 123.2 66.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.411 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 52.5 p -125.88 -165.9 1.49 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.313 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 74.4 p -64.23 -33.38 75.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.027 0.441 . . . . 0.0 110.255 -179.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 53.3 mttp -64.06 -41.64 97.28 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.622 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.53 -46.44 63.62 Favored 'General case' 0 C--O 1.23 0.063 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.811 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 11.2 mt -64.12 -17.66 63.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.566 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.32 -37.43 93.06 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 51.4 mmtt -64.73 -39.61 93.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.976 0.417 . . . . 0.0 110.547 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 69.8 t -61.77 -41.85 92.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.099 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 34.0 mmt -60.48 -41.29 93.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.649 -179.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -61.78 -41.21 97.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.435 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 4.4 mmt -61.12 -33.22 73.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.774 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 96.6 mt -78.95 -5.31 53.46 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.618 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.3 20.87 71.4 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -115.96 143.61 45.21 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.782 0.325 . . . . 0.0 110.538 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -134.43 68.65 73.0 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.448 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -77.41 -168.15 0.56 Allowed 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 123.05 2.5 . . . . 0.0 112.268 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.77 155.97 41.27 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.776 -179.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -59.07 -29.14 89.78 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.707 2.271 . . . . 0.0 112.311 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -61.26 -37.74 84.21 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.116 0.484 . . . . 0.0 109.887 -179.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -64.87 -39.36 93.41 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.111 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 57' ' ' LEU . . . . . 0.502 HD22 ' N ' ' C' ' 57' ' ' LEU . 4.2 mm? -61.01 -39.99 91.85 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.792 179.472 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -63.66 -42.4 98.08 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.812 179.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.31 -40.99 96.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.345 -179.204 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 68.3 mtt -62.4 -42.99 99.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.559 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 61' ' ' ILE . . . . . 0.617 HG21 ' C ' ' C' ' 70' ' ' GLY . 97.1 mt -65.37 -44.72 94.56 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.258 0 CA-C-O 121.169 0.509 . . . . 0.0 110.364 179.697 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -60.97 -40.01 91.77 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.771 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -60.98 -46.02 92.44 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.113 -178.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 32.4 m -80.45 -31.06 12.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.852 -179.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 65' ' ' ASP . . . . . 0.482 ' OD2' HG22 ' C' ' 61' ' ' ILE . 69.6 m-20 -71.41 123.33 22.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.552 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -70.26 -39.65 74.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.443 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 58.3 p30 -89.76 -10.58 45.04 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.937 -179.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 66.13 25.1 72.14 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.684 -0.966 . . . . 0.0 110.684 179.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 83.0 p -55.77 -27.5 51.23 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.649 -179.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 70' ' ' GLY . . . . . 0.617 ' C ' HG21 ' C' ' 61' ' ' ILE . . . 101.06 2.4 54.79 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 179.509 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 56.9 p -137.04 162.24 33.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.62 0.248 . . . . 0.0 110.601 179.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 90.6 t -119.43 126.24 75.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.605 179.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -105.78 -169.64 1.62 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.713 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -59.79 -48.95 79.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.681 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -62.27 -51.03 69.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.926 0.393 . . . . 0.0 110.717 -179.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -64.45 -35.16 80.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.417 178.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -56.81 -47.66 79.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.316 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 74.0 mt -62.48 -39.08 92.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.552 178.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 72.3 t -65.27 -41.23 90.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.782 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 67.8 ttp -62.63 -40.48 97.12 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.369 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 6.8 mmt -67.06 -45.13 78.28 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.769 -179.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 72.7 t -68.13 -39.77 81.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.506 179.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 83' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' C' ' 87' ' ' ASP . 75.4 ttt180 -59.23 -44.88 92.31 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.472 -179.065 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 84' ' ' CYS . . . . . . . . . . . . . 97.3 m -63.13 -42.32 99.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.567 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 85.8 mtp -65.15 -42.12 94.06 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.738 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 2.8 mmtp -80.5 -20.21 44.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.001 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 87' ' ' ASP . . . . . 0.4 ' N ' ' O ' ' C' ' 83' ' ' ARG . 11.0 m-20 67.12 -126.19 0.2 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.549 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 88' ' ' ASP . . . . . 0.43 ' O ' ' OXT' ' C' ' 89' ' ' SER . 96.6 m-20 -85.97 70.98 10.67 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 121.038 0.447 . . . . 0.0 110.547 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . 0.43 ' OXT' ' O ' ' C' ' 88' ' ' ASP . 14.3 t . . . . . 0 C--N 1.323 -0.565 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.552 179.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 144' ' ' ARG . . . . . . . . . . . . . 40.9 mtt-85 . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' I' I ' 145' ' ' ARG . . . . . . . . . . . . . 31.8 ptt85 -66.88 145.81 55.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.705 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 146' ' ' VAL . . . . . 0.673 HG13 ' O ' ' I' ' 146' ' ' VAL . 7.3 p -166.54 99.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.511 179.558 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' I' I ' 147' ' ' ARG . . . . . 0.432 HH11 ' HB2' ' I' ' 149' ' ' SER . 21.2 ptt85 -157.73 146.99 19.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.755 179.651 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' I' I ' 148' ' ' ILE . . . . . 0.513 ' O ' ' O ' ' I' ' 149' ' ' SER . 97.0 mt -61.63 -50.29 80.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.648 -179.45 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' I' I ' 149' ' ' SER . . . . . 0.513 ' O ' ' O ' ' I' ' 148' ' ' ILE . 13.4 t 54.04 150.92 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 121.268 0.556 . . . . 0.0 110.821 179.372 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' I' I ' 150' ' ' ALA . . . . . . . . . . . . . . . -63.69 -18.69 64.25 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.331 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 151' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -59.69 -40.79 89.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.44 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . -63.95 -41.35 97.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.565 179.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 66.0 mtt -65.58 -40.34 92.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.496 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 154' ' ' MET . . . . . 0.449 ' O ' ' O ' ' I' ' 157' ' ' LEU . 21.8 mmt -61.81 -42.54 99.14 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.562 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 24.4 tm0? -66.79 -41.7 87.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.839 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . -63.65 -42.46 98.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 157' ' ' LEU . . . . . 0.449 ' O ' ' O ' ' I' ' 154' ' ' MET . 5.0 mp -104.58 -177.81 3.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.756 -179.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' I' I ' 158' ' ' LEU . . . . . . . . . . . . . 91.9 mt 48.64 -128.01 1.96 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.517 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 159' ' ' GLY . . . . . . . . . . . . . . . -69.98 146.69 43.5 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 160' ' ' ALA . . . . . . . . . . . . . . . -87.4 -17.01 33.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.794 0.331 . . . . 0.0 110.708 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 161' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -155.65 147.63 23.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.658 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 162' ' ' HIS . . . . . . . . . . . . . 31.1 p80 -163.81 162.02 23.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.686 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 163' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -111.48 -15.02 13.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.765 179.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 164' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -100.01 75.72 1.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.647 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 165' ' ' SER . . . . . . . . . . . . . 45.0 t -68.92 140.87 55.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.488 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 166' ' ' LEU . . . . . 1.055 HD12 ' H ' ' I' ' 166' ' ' LEU . 0.0 OUTLIER -110.06 90.41 3.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.031 0.443 . . . . 0.0 110.428 -179.494 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' I' I ' 167' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -149.5 98.11 2.73 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.344 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 168' ' ' LEU . . . . . . . . . . . . . 59.3 mt -112.81 130.63 56.02 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.466 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 169' ' ' ARG . . . . . 0.42 ' HE ' ' HA ' ' I' ' 169' ' ' ARG . 0.1 OUTLIER -124.83 6.99 8.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.665 179.728 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' I' I ' 170' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 117.915 -1.04 . . . . 0.0 110.456 -179.967 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.458 ' O ' ' SD ' ' C' ' 1' ' ' MET . 2.2 tmt? . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -107.77 -65.73 1.09 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.749 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 3' ' ' ASP . . . . . 0.474 ' N ' ' OD1' ' C' ' 3' ' ' ASP . 20.2 p-10 -64.56 -43.67 93.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.864 -179.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 4' ' ' ILE . . . . . 0.462 HG23 ' N ' ' C' ' 5' ' ' TYR . 20.9 tt -63.97 -38.87 83.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.984 0.421 . . . . 0.0 110.81 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 5' ' ' TYR . . . . . 0.462 ' N ' HG23 ' C' ' 4' ' ' ILE . 86.1 t80 -63.27 -46.88 84.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.553 179.703 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 63.4 mmtt -60.99 -42.05 97.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.235 -179.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.27 -39.05 93.15 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.369 178.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.8 -41.13 99.14 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.328 -179.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . 0.554 HG22 HG21 ' C' ' 82' ' ' VAL . 61.9 t -66.65 -41.85 88.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.69 -0.687 . . . . 0.0 111.197 179.749 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -72.76 -32.92 66.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.909 0.385 . . . . 0.0 110.489 -179.27 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 11' ' ' GLN . . . . . 0.435 ' O ' ' C ' ' C' ' 12' ' ' LEU . 6.5 tp-100 -61.85 -24.41 66.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.888 -179.044 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' C' ' 11' ' ' GLN . 1.8 mm? -33.33 145.7 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.877 0.37 . . . . 0.0 111.326 -179.212 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 71.5 p -78.09 160.03 28.32 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -65.4 -39.71 92.52 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.567 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -62.86 -43.61 98.34 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.832 -179.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -65.3 -39.29 92.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.079 0.466 . . . . 0.0 110.276 179.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.45 -38.82 81.47 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.527 179.725 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -63.46 -49.35 74.01 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.295 -0.562 . . . . 0.0 111.535 -179.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -66.63 -37.5 84.98 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.991 0.424 . . . . 0.0 110.597 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . 0.473 ' CD1' ' C ' ' C' ' 20' ' ' PHE . 0.2 OUTLIER -59.07 -51.93 67.93 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.713 179.297 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -54.66 -42.45 71.32 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.744 -0.383 . . . . 0.0 110.274 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.66 -41.58 97.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.144 0.497 . . . . 0.0 110.65 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.23 -39.21 89.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.087 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -61.99 -39.99 94.09 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.105 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -61.06 -39.25 89.15 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.543 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 1.4 mp -77.46 -38.26 26.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.942 0.401 . . . . 0.0 110.304 179.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.15 -36.58 73.22 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.791 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 23.6 m -83.79 23.05 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.845 -179.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 29' ' ' LEU . . . . . 0.434 HD12 ' N ' ' C' ' 30' ' ' GLY . 1.8 pp -44.03 -43.16 6.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 30' ' ' GLY . . . . . 0.434 ' N ' HD12 ' C' ' 29' ' ' LEU . . . -99.88 -26.85 8.2 Favored Glycine 0 CA--C 1.526 0.744 0 C-N-CA 120.992 -0.623 . . . . 0.0 111.637 -179.246 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 31' ' ' ALA . . . . . 0.491 ' N ' ' OE2' ' C' ' 40' ' ' GLU . . . -80.6 99.71 8.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.038 0.447 . . . . 0.0 110.638 -179.58 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -65.98 -34.73 78.78 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.246 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 57.6 p-10 -72.06 -13.09 61.5 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.832 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.62 20.27 56.64 Favored Glycine 0 CA--C 1.526 0.765 0 C-N-CA 120.519 -0.848 . . . . 0.0 111.445 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 35' ' ' CYS . . . . . 0.445 ' O ' ' CB ' ' C' ' 31' ' ' ALA . 79.7 m -110.74 139.98 45.54 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.702 0.287 . . . . 0.0 110.581 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 10.3 mm -95.22 133.29 36.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.845 0.355 . . . . 0.0 110.21 -179.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 22.8 t -134.29 -174.13 3.47 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.424 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 75.6 p -64.88 -25.57 67.95 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.193 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.19 -50.7 72.05 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.506 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 40' ' ' GLU . . . . . 0.491 ' OE2' ' N ' ' C' ' 31' ' ' ALA . 96.1 mt-10 -71.93 -37.08 70.09 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.423 0.63 . . . . 0.0 111.05 179.14 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 9.6 tp -56.87 -27.83 60.95 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.22 -179.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.07 -40.88 97.69 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -68.49 -38.82 81.34 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 121.218 0.532 . . . . 0.0 109.801 179.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 65.7 t -59.85 -44.3 93.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.072 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 23.5 mmt -62.12 -39.09 91.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.625 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.14 -42.27 94.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.453 -179.549 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 77.5 mtm -65.25 -36.44 84.12 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.189 0.519 . . . . 0.0 110.408 179.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 98.1 mt -72.42 -5.97 40.29 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.544 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.72 23.91 66.07 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -121.32 140.5 52.0 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.948 0.404 . . . . 0.0 110.532 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 61.6 t-20 -135.33 69.57 68.47 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.691 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -78.1 -167.95 0.55 Allowed 'Trans proline' 0 C--N 1.304 -1.803 0 C-N-CA 123.035 2.49 . . . . 0.0 112.154 179.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 3.3 p -98.8 152.71 37.95 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.388 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -48.77 -36.2 32.6 Favored 'Trans proline' 0 N--CA 1.498 1.744 0 C-N-CA 122.223 1.949 . . . . 0.0 112.444 179.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -58.32 -35.26 71.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.191 0.52 . . . . 0.0 110.832 -179.402 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 74.1 mt-10 -70.57 -39.82 73.69 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.025 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 57' ' ' LEU . . . . . 0.454 HD12 ' N ' ' C' ' 57' ' ' LEU . 11.2 mp -59.66 -43.44 93.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.639 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -64.33 -43.62 94.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.787 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 59' ' ' GLU . . . . . 0.431 ' O ' ' OD1' ' C' ' 62' ' ' ASP . 98.3 mt-10 -64.2 -39.16 93.39 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.728 179.577 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 60' ' ' MET . . . . . 0.464 ' O ' ' SD ' ' C' ' 60' ' ' MET . 0.0 OUTLIER -57.77 -44.61 86.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.263 -179.129 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 97.0 mt -69.29 -42.21 81.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.844 179.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 62' ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' C' ' 59' ' ' GLU . 0.0 OUTLIER -55.17 -29.67 58.3 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.057 -178.934 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -62.45 -41.58 98.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.968 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 64' ' ' VAL . . . . . 0.468 HG23 ' NH1' ' C' ' 83' ' ' ARG . 7.3 p -95.61 -31.25 4.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.857 0.36 . . . . 0.0 111.626 -179.608 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 65' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -69.07 115.61 8.57 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.04 0.448 . . . . 0.0 110.577 -178.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -81.47 -16.76 50.96 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.795 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -95.28 -13.38 24.89 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.599 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 69.11 13.73 67.43 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 179.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 91.9 p -64.11 -20.38 65.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.727 0.299 . . . . 0.0 110.818 -179.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 82.59 6.88 88.17 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 60.3 p -129.96 160.28 34.11 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.898 0.38 . . . . 0.0 110.591 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 57.4 t -122.16 123.0 67.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.658 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 73' ' ' ASP . . . . . 0.478 ' OD1' ' N ' ' C' ' 76' ' ' GLU . 51.2 p30 -90.31 -171.21 3.02 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.691 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -59.71 -48.94 79.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.099 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 75' ' ' ASP . . . . . 0.655 ' O ' HG13 ' C' ' 79' ' ' VAL . 45.9 m-20 -65.88 -56.1 13.57 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.54 -179.565 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . 0.478 ' N ' ' OD1' ' C' ' 73' ' ' ASP . 59.7 mt-10 -52.13 -29.44 21.91 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.107 0.48 . . . . 0.0 109.819 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -70.03 -43.7 70.77 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 119.834 -0.746 . . . . 0.0 109.768 178.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 33.9 tp -64.98 -45.07 87.21 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.199 -178.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 79' ' ' VAL . . . . . 0.655 HG13 ' O ' ' C' ' 75' ' ' ASP . 1.1 m -66.76 -27.59 40.41 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.269 -178.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 11.5 ttp -67.42 -41.18 85.25 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 81.4 mmm -63.26 -43.84 96.85 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.961 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 82' ' ' VAL . . . . . 0.554 HG21 HG22 ' C' ' 9' ' ' VAL . 93.8 t -66.98 -41.61 87.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.405 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 83' ' ' ARG . . . . . 0.468 ' NH1' HG23 ' C' ' 64' ' ' VAL . 74.3 mtp180 -60.38 -43.14 96.89 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.519 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 84' ' ' CYS . . . . . 0.537 ' SG ' ' N ' ' C' ' 85' ' ' MET . 11.1 p -67.01 -38.8 86.61 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.512 -179.302 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 85' ' ' MET . . . . . 0.537 ' N ' ' SG ' ' C' ' 84' ' ' CYS . 97.7 mtp -65.63 -41.38 92.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.714 179.448 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -75.12 -50.29 16.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.515 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 87' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -71.94 136.46 46.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.388 -179.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -126.05 73.73 1.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.435 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 26.0 p . . . . . 0 C--O 1.219 -0.504 0 CA-C-O 118.005 -0.998 . . . . 0.0 110.486 179.941 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' I' I ' 144' ' ' ARG . . . . . . . . . . . . . 80.2 mtm180 . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' I' I ' 145' ' ' ARG . . . . . . . . . . . . . 51.9 ttt85 -61.28 -39.22 89.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.169 -179.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 146' ' ' VAL . . . . . . . . . . . . . 89.5 t -79.22 125.93 38.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.538 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 147' ' ' ARG . . . . . . . . . . . . . 83.9 mtt85 -74.86 151.59 38.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.594 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 148' ' ' ILE . . . . . 0.548 ' O ' ' HB3' ' I' ' 152' ' ' ALA . 6.1 mm -56.89 -72.75 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.671 -179.41 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' I' I ' 149' ' ' SER . . . . . 0.474 ' N ' HG22 ' I' ' 148' ' ' ILE . 2.0 p 62.81 148.39 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.27 0.557 . . . . 0.0 111.048 179.771 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' I' I ' 150' ' ' ALA . . . . . . . . . . . . . . . -62.05 -36.4 81.51 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.667 179.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 151' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -55.97 -46.49 78.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.908 -179.029 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 152' ' ' ALA . . . . . 0.548 ' HB3' ' O ' ' I' ' 148' ' ' ILE . . . -63.19 -39.93 96.06 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.423 179.549 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 10.8 mtm -59.97 -41.43 91.94 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.711 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 154' ' ' MET . . . . . . . . . . . . . 64.8 mtt -65.93 -37.91 87.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.596 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 155' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' I' ' 159' ' ' GLY . 82.3 mt-30 -60.69 -43.79 97.31 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.338 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . -63.47 -41.02 98.61 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.871 0.367 . . . . 0.0 110.656 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 157' ' ' LEU . . . . . . . . . . . . . 5.3 mt -63.7 -49.69 72.15 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.362 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 158' ' ' LEU . . . . . . . . . . . . . 1.4 mp -112.51 -59.28 2.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.688 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 159' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' I' ' 155' ' ' GLN . . . 80.18 -175.1 55.03 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.659 -0.976 . . . . 0.0 110.659 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' I' I ' 160' ' ' ALA . . . . . . . . . . . . . . . 60.28 -168.32 0.17 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.716 0.293 . . . . 0.0 110.625 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 161' ' ' ARG . . . . . . . . . . . . . 88.3 mtm-85 41.06 -114.85 0.23 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.441 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 162' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 44.13 78.05 0.06 Allowed 'General case' 0 C--N 1.334 -0.095 0 CA-C-O 120.754 0.311 . . . . 0.0 110.846 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 163' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -53.91 -60.82 2.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.685 -179.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 164' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -136.84 -66.58 0.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.721 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 165' ' ' SER . . . . . . . . . . . . . 65.6 p -165.45 102.33 0.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.613 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 166' ' ' LEU . . . . . . . . . . . . . 25.0 mt 57.07 19.22 4.55 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.54 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 167' ' ' ASP . . . . . 0.455 ' C ' ' N ' ' I' ' 169' ' ' ARG . 3.3 m-20 52.73 29.55 7.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.453 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' I' I ' 168' ' ' LEU . . . . . . . . . . . . . 1.4 mm? 45.98 17.79 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.66 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 169' ' ' ARG . . . . . 0.455 ' N ' ' C ' ' I' ' 167' ' ' ASP . 53.9 ttp180 -157.26 -51.3 0.07 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.571 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' I' I ' 170' ' ' ALA . . . . . 0.419 ' O ' ' O ' ' I' ' 169' ' ' ARG . . . . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.428 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 5.8 mmt . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -81.14 72.97 8.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.109 0.481 . . . . 0.0 110.489 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -63.03 -36.48 83.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.729 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.48 -46.53 92.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.904 -178.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 5' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -63.99 -40.63 96.81 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.921 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 4.7 mmtp -58.75 -48.43 81.21 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.382 -0.527 . . . . 0.0 109.999 179.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.93 -38.47 88.74 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.975 179.173 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.06 -43.89 98.2 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.292 -0.563 . . . . 0.0 110.201 -179.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 53.6 t -64.12 -48.49 85.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.308 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -65.65 -33.11 75.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.709 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -61.34 -27.01 68.19 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.646 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 91.2 mt -53.59 135.64 40.08 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.24 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 13' ' ' THR . . . . . 0.457 ' OG1' ' OE1' ' C' ' 16' ' ' GLN . 70.6 p -78.34 170.9 15.88 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.541 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 58.5 mp0 -60.35 -38.99 85.56 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.681 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -65.11 -43.92 90.43 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.628 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 16' ' ' GLN . . . . . 0.463 ' N ' ' OE1' ' C' ' 16' ' ' GLN . 2.4 mp0 -61.31 -42.93 99.49 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.177 179.47 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 24.1 mmtt -61.81 -41.07 97.29 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.418 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -64.93 -39.46 93.55 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 120.09 -0.644 . . . . 0.0 110.626 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -63.63 -43.88 95.55 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.318 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -67.72 -41.02 84.15 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.172 0.51 . . . . 0.0 110.318 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 56.3 tttp -60.52 -41.56 94.67 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.606 179.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . 0.575 ' O ' HD12 ' C' ' 26' ' ' ILE . . . -60.43 -44.3 95.92 Favored 'General case' 0 C--O 1.221 -0.402 0 C-N-CA 120.131 -0.628 . . . . 0.0 109.982 179.448 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . 0.461 ' HB1' ' HG ' ' I' ' 157' ' ' LEU . . . -63.42 -38.3 90.62 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.047 0.451 . . . . 0.0 110.433 179.186 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -60.63 -35.17 75.51 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.401 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -59.64 -37.88 79.87 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.146 -179.075 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 26' ' ' ILE . . . . . 0.575 HD12 ' O ' ' C' ' 22' ' ' ALA . 4.1 mp -82.09 -40.46 17.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.546 179.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 27' ' ' PHE . . . . . 0.565 ' HB3' HD11 ' C' ' 36' ' ' ILE . 1.4 m-85 -54.8 -38.0 66.77 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.318 -0.553 . . . . 0.0 111.391 -179.542 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . 0.502 ' HB ' ' HB3' ' C' ' 31' ' ' ALA . 31.6 m -75.11 21.07 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.351 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 29' ' ' LEU . . . . . 0.487 ' H ' ' C ' ' C' ' 27' ' ' PHE . 1.0 OUTLIER -46.55 107.56 0.11 Allowed 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 121.409 0.623 . . . . 0.0 109.746 179.309 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 99.01 -20.98 48.1 Favored Glycine 0 CA--C 1.524 0.62 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.914 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 31' ' ' ALA . . . . . 0.502 ' HB3' ' HB ' ' C' ' 28' ' ' VAL . . . -87.34 91.92 8.89 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 120.224 -0.591 . . . . 0.0 109.851 179.22 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 58.6 mp0 -61.96 -34.55 76.34 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.19 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -67.3 -17.73 64.89 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.425 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.02 13.92 70.65 Favored Glycine 0 CA--C 1.52 0.397 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 35' ' ' CYS . . . . . . . . . . . . . 73.8 m -117.62 143.28 46.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.862 0.363 . . . . 0.0 110.685 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . 0.565 HD11 ' HB3' ' C' ' 27' ' ' PHE . 90.4 mt -101.37 130.11 51.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.222 0.534 . . . . 0.0 110.897 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 80.1 p -125.81 -169.73 2.06 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.166 -0.924 . . . . 0.0 109.605 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 71.5 p -63.49 -22.91 67.16 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.341 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 8.8 tptm -69.39 -61.25 1.86 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.027 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -63.64 -42.24 98.16 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.175 0.512 . . . . 0.0 110.639 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 25.4 tp -63.9 -38.27 90.47 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.051 -179.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.57 -38.65 96.18 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.47 -1.052 . . . . 0.0 110.47 179.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.08 -40.11 96.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.331 0.586 . . . . 0.0 109.899 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 64.6 t -62.59 -44.94 99.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.265 179.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 9.5 mmt -60.95 -39.1 88.21 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.361 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 -58.85 -43.32 90.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.296 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 59.5 ttp -60.7 -38.84 86.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.124 0.488 . . . . 0.0 110.156 179.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 96.6 mt -71.01 -9.83 58.7 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.979 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 93.86 9.21 59.95 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.211 -0.755 . . . . 0.0 111.211 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -111.36 134.26 53.08 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.835 0.35 . . . . 0.0 110.318 179.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -133.33 75.64 69.9 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.871 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -64.82 -153.63 0.02 OUTLIER 'Trans proline' 0 C--N 1.296 -2.193 0 C-N-CA 122.484 2.123 . . . . 0.0 111.865 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 37.1 p -126.52 155.8 74.01 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.424 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -51.05 -39.83 59.9 Favored 'Trans proline' 0 N--CA 1.497 1.679 0 C-N-CA 121.78 1.653 . . . . 0.0 113.03 179.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -62.5 -44.66 95.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.486 0.66 . . . . 0.0 110.704 -178.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -66.99 -42.69 84.62 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.891 -1.05 . . . . 0.0 110.557 -179.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 95.2 mt -64.04 -39.09 93.32 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.371 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -63.32 -41.31 98.9 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.711 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -64.01 -39.62 94.53 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.68 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 28.3 ttt -59.37 -46.07 89.67 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 120.848 0.356 . . . . 0.0 110.399 -179.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 61' ' ' ILE . . . . . 0.44 HG21 ' C ' ' C' ' 70' ' ' GLY . 95.7 mt -64.83 -39.56 86.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.163 0.506 . . . . 0.0 110.645 179.52 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -59.04 -37.65 77.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.925 -179.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -59.89 -28.97 68.02 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.306 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 30.3 m -112.95 1.64 8.64 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 N-CA-C 112.181 0.438 . . . . 0.0 112.181 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 65' ' ' ASP . . . . . 0.51 ' OD1' ' N ' ' C' ' 68' ' ' GLY . 40.4 t0 -95.27 104.05 15.93 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 119.975 -0.69 . . . . 0.0 111.036 -179.234 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -65.09 -41.54 94.92 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.054 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 67' ' ' ASP . . . . . 0.437 ' OD1' ' OD1' ' C' ' 65' ' ' ASP . 2.5 p30 -84.49 -10.51 57.4 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.832 -179.308 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 68' ' ' GLY . . . . . 0.51 ' N ' ' OD1' ' C' ' 65' ' ' ASP . . . 71.71 13.82 75.1 Favored Glycine 0 CA--C 1.526 0.719 0 C-N-CA 120.589 -0.815 . . . . 0.0 111.085 179.173 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 93.8 p -62.29 -21.01 64.9 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.58 0.215 . . . . 0.0 111.58 -179.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 70' ' ' GLY . . . . . 0.44 ' N ' ' OD2' ' C' ' 65' ' ' ASP . . . 84.96 11.56 76.3 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 110.6 -1.0 . . . . 0.0 110.6 -179.614 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 59.5 p -133.29 161.17 35.2 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.686 0.279 . . . . 0.0 110.67 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 72.9 t -110.53 125.86 67.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.618 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -102.81 -179.22 3.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.64 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 74' ' ' PHE . . . . . 0.497 ' CE2' HD11 ' C' ' 78' ' ' LEU . 88.3 t80 -58.48 -47.46 83.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.624 -179.62 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -61.6 -47.67 84.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.533 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -64.74 -37.28 87.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.126 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -57.45 -47.46 81.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.503 179.184 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 78' ' ' LEU . . . . . 0.546 ' O ' HG23 ' C' ' 82' ' ' VAL . 96.8 mt -61.89 -40.67 96.22 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.587 -179.704 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 72.5 t -65.18 -42.44 94.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.523 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 65.4 ttp -63.07 -37.85 88.85 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-O 121.543 0.687 . . . . 0.0 109.813 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 81' ' ' MET . . . . . 0.456 ' O ' ' SD ' ' C' ' 81' ' ' MET . 0.0 OUTLIER -72.02 -41.88 67.02 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.92 -179.098 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 82' ' ' VAL . . . . . 0.546 HG23 ' O ' ' C' ' 78' ' ' LEU . 64.8 t -62.36 -48.02 90.28 Favored 'Isoleucine or valine' 0 C--O 1.238 0.447 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.419 -179.217 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 42.8 ptt85 -67.7 -32.93 73.91 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.401 -0.519 . . . . 0.0 110.055 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 84' ' ' CYS . . . . . . . . . . . . . 52.8 t -60.93 -46.32 91.14 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.347 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 16.6 tpt -60.93 -43.99 97.83 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.093 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -64.09 -40.65 96.69 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.191 179.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 87' ' ' ASP . . . . . . . . . . . . . 54.8 t0 52.5 62.68 2.57 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.222 179.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 88' ' ' ASP . . . . . 0.43 ' O ' ' O ' ' C' ' 89' ' ' SER . 86.4 m-20 -101.46 72.23 1.4 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.106 0.479 . . . . 0.0 110.623 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . 0.43 ' O ' ' O ' ' C' ' 88' ' ' ASP . 0.8 OUTLIER . . . . . 0 C--N 1.322 -0.613 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.82 179.548 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' I' I ' 144' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' I' I ' 145' ' ' ARG . . . . . 0.422 ' O ' ' O ' ' I' ' 146' ' ' VAL . 1.8 ptp85 -78.64 105.59 10.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.556 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' I' I ' 146' ' ' VAL . . . . . 0.422 ' O ' ' O ' ' I' ' 145' ' ' ARG . 2.7 t 58.98 135.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.525 179.551 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' I' I ' 147' ' ' ARG . . . . . . . . . . . . . 30.7 mmt180 -103.22 -163.99 1.04 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.425 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 148' ' ' ILE . . . . . . . . . . . . . 97.5 mt -59.18 -45.93 92.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.469 -179.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 149' ' ' SER . . . . . 0.459 ' OG ' ' N ' ' I' ' 150' ' ' ALA . 42.1 t 43.11 -141.26 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.394 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' I' I ' 150' ' ' ALA . . . . . 0.459 ' N ' ' OG ' ' I' ' 149' ' ' SER . . . -119.45 -22.32 7.06 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.846 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' I' I ' 151' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -66.53 -36.18 82.05 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.7 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . -60.92 -42.79 98.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.364 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 22.5 mmt -63.58 -42.06 98.32 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.691 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 154' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.41 -43.09 95.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.685 -179.434 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' I' I ' 155' ' ' GLN . . . . . 0.514 ' NE2' ' CD2' ' I' ' 162' ' ' HIS . 38.5 mm-40 -65.4 -41.07 94.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.497 179.574 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . -62.93 -42.27 99.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 157' ' ' LEU . . . . . 0.461 ' HG ' ' HB1' ' C' ' 23' ' ' ALA . 8.0 mp -75.24 -51.83 12.35 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.1 -179.653 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' I' I ' 158' ' ' LEU . . . . . . . . . . . . . 8.0 tp -176.57 -68.89 0.01 OUTLIER 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.303 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 159' ' ' GLY . . . . . . . . . . . . . . . 91.97 157.48 33.68 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 160' ' ' ALA . . . . . . . . . . . . . . . -113.53 -52.29 2.76 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-O 120.678 0.275 . . . . 0.0 110.673 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 161' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -158.03 143.23 16.71 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.817 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 162' ' ' HIS . . . . . 0.514 ' CD2' ' NE2' ' I' ' 155' ' ' GLN . 26.1 m-70 -136.91 76.5 1.59 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.131 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' I' I ' 163' ' ' LYS . . . . . . . . . . . . . 20.2 mmtt -100.94 -12.31 19.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.653 179.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 164' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -169.02 -152.82 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.336 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 165' ' ' SER . . . . . 0.566 ' C ' ' H ' ' I' ' 167' ' ' ASP . 80.1 p -70.1 167.39 17.81 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.371 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' I' I ' 166' ' ' LEU . . . . . . . . . . . . . 1.6 tp -49.8 -2.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.613 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 167' ' ' ASP . . . . . 0.566 ' H ' ' C ' ' I' ' 165' ' ' SER . 12.2 t0 75.4 15.89 2.73 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.793 0.33 . . . . 0.0 110.531 179.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' I' I ' 168' ' ' LEU . . . . . . . . . . . . . 59.5 tp -65.44 -42.33 92.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.905 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 169' ' ' ARG . . . . . 0.434 ' HE ' ' HA ' ' I' ' 169' ' ' ARG . 1.5 tpm_? 72.59 91.17 0.09 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.872 -179.719 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' I' I ' 170' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.359 -179.729 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 3.6 ptp . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -133.42 -51.41 0.87 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.699 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.36 -40.69 95.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.613 -179.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 50.1 mm -62.16 -47.41 93.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.685 -179.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 5' ' ' TYR . . . . . 0.493 ' OH ' HG13 ' C' ' 79' ' ' VAL . 87.9 t80 -61.44 -45.77 92.91 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.364 179.175 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 12.7 mmmt -59.17 -41.77 89.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.335 -179.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.35 -34.79 73.05 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.567 178.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.35 -40.63 94.99 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.308 -179.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . 0.419 HG22 HG21 ' C' ' 82' ' ' VAL . 54.3 t -68.16 -46.26 81.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.825 179.255 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -66.09 -25.48 67.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.427 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -61.52 -32.32 72.37 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.564 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . 0.632 HD12 HE21 ' C' ' 16' ' ' GLN . 4.4 mm? -47.34 134.02 11.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.836 0.35 . . . . 0.0 110.692 -179.545 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 63.7 p -86.33 162.76 18.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.873 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 14' ' ' GLU . . . . . 0.531 ' O ' ' ND2' ' C' ' 18' ' ' ASN . 57.8 mp0 -61.76 -39.78 92.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.581 179.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -63.9 -44.87 91.67 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.412 179.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 16' ' ' GLN . . . . . 0.632 HE21 HD12 ' C' ' 12' ' ' LEU . 0.4 OUTLIER -63.69 -42.08 98.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.029 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -64.75 -39.89 94.38 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.59 179.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 18' ' ' ASN . . . . . 0.531 ' ND2' ' O ' ' C' ' 14' ' ' GLU . 53.6 m-80 -61.6 -40.34 94.47 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 120.571 -0.452 . . . . 0.0 111.007 -179.698 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -65.18 -39.9 93.52 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.476 179.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . 0.618 ' CD2' HD21 ' C' ' 78' ' ' LEU . 0.0 OUTLIER -64.55 -44.51 90.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.886 179.287 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 19.5 mtpp -58.77 -38.51 78.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.145 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.33 -44.4 97.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.828 0.347 . . . . 0.0 110.201 179.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.93 -39.79 94.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.454 178.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 24' ' ' PHE . . . . . 0.642 ' CE2' ' CZ ' ' C' ' 74' ' ' PHE . 53.8 t80 -61.07 -43.58 98.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.28 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -60.04 -39.67 86.72 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.116 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 97.3 mt -70.9 -43.45 76.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.622 0.249 . . . . 0.0 110.408 178.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 27' ' ' PHE . . . . . 0.488 ' CE1' HG21 ' C' ' 44' ' ' VAL . 0.2 OUTLIER -50.45 -43.61 55.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.889 0.376 . . . . 0.0 110.861 -179.608 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . 0.611 ' HB ' ' HB3' ' C' ' 31' ' ' ALA . 31.0 m -76.13 26.99 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.957 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 29' ' ' LEU . . . . . 0.454 ' H ' ' C ' ' C' ' 27' ' ' PHE . 0.8 OUTLIER -49.65 101.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.222 0.534 . . . . 0.0 110.642 179.707 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 100.15 -16.92 57.76 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 31' ' ' ALA . . . . . 0.611 ' HB3' ' HB ' ' C' ' 28' ' ' VAL . . . -84.61 95.25 8.82 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 120.879 0.371 . . . . 0.0 110.286 179.618 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.63 -26.08 67.66 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.702 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -68.8 -21.0 64.35 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.488 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.81 13.45 83.11 Favored Glycine 0 CA--C 1.521 0.417 0 N-CA-C 110.675 -0.97 . . . . 0.0 110.675 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 35' ' ' CYS . . . . . . . . . . . . . 74.5 m -112.53 144.94 41.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.766 0.317 . . . . 0.0 110.538 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 78.8 mt -102.64 118.29 49.3 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.155 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.227 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 15.9 p -121.95 -169.96 1.97 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.451 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 76.8 p -62.94 -31.57 72.69 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.244 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 34.8 mtpt -65.72 -44.03 87.29 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.663 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 40' ' ' GLU . . . . . 0.443 ' OE1' ' N ' ' C' ' 40' ' ' GLU . 60.9 mp0 -72.15 -40.7 67.84 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.271 0.557 . . . . 0.0 110.668 179.375 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.18 -29.9 70.77 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.375 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.99 -42.29 98.28 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 57.2 mmtt -68.41 -40.37 81.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.88 0.371 . . . . 0.0 110.281 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 44' ' ' VAL . . . . . 0.488 HG21 ' CE1' ' C' ' 27' ' ' PHE . 79.2 t -63.85 -42.5 96.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.265 179.496 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 16.8 mmt -61.48 -39.67 91.76 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.447 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 42.5 tpt85 -59.88 -41.08 90.79 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.017 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 60.5 ttm -60.81 -39.44 89.0 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.046 0.451 . . . . 0.0 110.255 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 96.9 mt -70.98 -14.58 62.4 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.47 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 94.0 13.69 53.99 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 94.5 mm-40 -110.97 137.25 48.83 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.969 0.414 . . . . 0.0 110.529 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -129.97 74.65 80.38 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.031 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -75.71 -169.56 0.69 Allowed 'Trans proline' 0 C--N 1.308 -1.563 0 C-N-CA 122.848 2.365 . . . . 0.0 112.067 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.57 159.01 34.76 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.075 -179.577 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -49.87 -41.17 47.96 Favored 'Trans proline' 0 N--CA 1.493 1.468 0 C-N-CA 122.392 2.062 . . . . 0.0 112.211 179.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.89 -44.1 97.58 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-O 120.731 0.301 . . . . 0.0 110.863 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.27 -39.64 92.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.398 0.618 . . . . 0.0 109.897 -178.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 95.8 mt -68.1 -36.48 79.84 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.846 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -62.92 -44.12 96.94 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.113 -178.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -72.88 -27.91 62.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.017 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 33.3 mtt -63.52 -47.01 83.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.188 179.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 92.2 mt -68.02 -42.09 85.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.696 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 62' ' ' ASP . . . . . 0.437 ' OD1' ' O ' ' C' ' 62' ' ' ASP . 61.9 t0 -60.69 -35.63 76.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.662 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -49.47 -26.56 3.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -178.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 15.7 m -118.7 -30.3 1.81 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.259 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.187 -179.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 65' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -70.9 113.6 8.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.957 0.408 . . . . 0.0 110.386 -179.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -81.43 -29.7 33.75 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.621 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 67' ' ' ASP . . . . . 0.412 ' OD2' ' OE2' ' C' ' 76' ' ' GLU . 0.8 OUTLIER -81.28 -14.81 56.99 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.918 -179.801 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 66.4 18.75 67.93 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 179.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 88.8 p -62.05 -19.01 62.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.873 0.368 . . . . 0.0 110.736 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.17 5.09 87.78 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.74 -0.944 . . . . 0.0 110.74 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 70.3 p -135.53 159.95 40.01 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 121.161 -0.216 . . . . 0.0 110.482 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 27.1 t -114.73 126.99 72.43 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.017 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 73' ' ' ASP . . . . . 0.478 ' CG ' ' H ' ' C' ' 74' ' ' PHE . 23.2 t0 -99.42 -172.59 2.29 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.678 179.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 74' ' ' PHE . . . . . 0.642 ' CZ ' ' CE2' ' C' ' 24' ' ' PHE . 71.0 m-85 -63.86 -46.7 83.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.01 -179.752 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -68.69 -42.8 77.3 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.982 0.42 . . . . 0.0 111.005 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . 0.444 ' HB2' ' H ' ' C' ' 73' ' ' ASP . 89.3 mt-10 -63.43 -39.2 93.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.618 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -62.61 -43.48 98.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.225 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 78' ' ' LEU . . . . . 0.618 HD21 ' CD2' ' C' ' 20' ' ' PHE . 85.9 mt -60.71 -39.03 87.06 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.461 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 79' ' ' VAL . . . . . 0.493 HG13 ' OH ' ' C' ' 5' ' ' TYR . 78.5 t -61.7 -44.44 98.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.023 -179.484 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 80' ' ' MET . . . . . 0.439 ' C ' ' SD ' ' C' ' 80' ' ' MET . 19.5 tmm? -65.23 -40.09 93.61 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.239 0.542 . . . . 0.0 110.454 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 35.1 ttm -64.79 -44.07 91.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.245 -179.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 82' ' ' VAL . . . . . 0.45 HG23 ' O ' ' C' ' 78' ' ' LEU . 52.9 t -59.61 -44.5 93.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.352 -179.526 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 83' ' ' ARG . . . . . 0.546 ' O ' ' N ' ' C' ' 87' ' ' ASP . 76.0 mtp85 -63.74 -45.81 88.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.964 0.411 . . . . 0.0 110.662 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 84' ' ' CYS . . . . . . . . . . . . . 90.7 m -65.41 -38.95 91.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.909 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 12.6 tpt -58.86 -39.66 81.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.39 -178.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -105.08 -62.43 1.34 Allowed 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.15 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 87' ' ' ASP . . . . . 0.546 ' N ' ' O ' ' C' ' 83' ' ' ARG . 61.4 m-20 -75.5 154.73 36.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.507 -179.725 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -104.66 71.06 0.96 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.29 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 67.3 m . . . . . 0 C--N 1.326 -0.428 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.695 179.569 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' I' I ' 144' ' ' ARG . . . . . . . . . . . . . 29.6 ttp-105 . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' I' I ' 145' ' ' ARG . . . . . . . . . . . . . 28.2 mtp-105 43.7 -111.36 0.2 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.523 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 146' ' ' VAL . . . . . . . . . . . . . 34.0 m -128.53 156.92 41.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.305 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 147' ' ' ARG . . . . . . . . . . . . . 8.6 tpt85 72.72 107.18 0.07 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.717 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 148' ' ' ILE . . . . . . . . . . . . . 73.9 mt -63.74 145.16 13.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.618 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 149' ' ' SER . . . . . . . . . . . . . 91.2 p -134.11 167.26 20.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.646 -179.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 150' ' ' ALA . . . . . . . . . . . . . . . -59.78 -39.04 83.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.199 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 151' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -63.9 -42.45 97.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.527 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . -62.26 -40.4 96.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.52 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 64.4 mtt -60.51 -45.41 93.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.661 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 154' ' ' MET . . . . . 0.546 ' O ' ' N ' ' I' ' 158' ' ' LEU . 77.7 mtm -66.07 -40.65 91.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.745 179.211 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -63.45 -43.53 97.11 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.914 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . -60.51 -43.89 96.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.608 -179.183 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 157' ' ' LEU . . . . . . . . . . . . . 2.8 mp -89.43 -61.14 1.76 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.538 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 158' ' ' LEU . . . . . 0.546 ' N ' ' O ' ' I' ' 154' ' ' MET . 81.5 mt -101.08 -153.5 0.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.289 179.748 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' I' I ' 159' ' ' GLY . . . . . . . . . . . . . . . 73.17 59.86 4.07 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.313 -0.715 . . . . 0.0 111.313 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 160' ' ' ALA . . . . . . . . . . . . . . . -59.86 -40.77 89.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.759 0.314 . . . . 0.0 110.426 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 161' ' ' ARG . . . . . . . . . . . . . 12.7 ptt85 -153.38 85.24 1.19 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.53 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 162' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -55.65 123.97 15.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.512 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 163' ' ' LYS . . . . . . . . . . . . . 7.1 ttpp -128.43 -9.41 5.18 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.631 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 164' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -121.95 150.35 42.15 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.367 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 165' ' ' SER . . . . . . . . . . . . . 77.0 p -99.2 60.56 1.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.679 -179.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 166' ' ' LEU . . . . . . . . . . . . . 93.8 mt 54.54 -173.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.623 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 167' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -92.46 106.94 18.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.65 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 168' ' ' LEU . . . . . . . . . . . . . 56.1 mt 53.11 18.01 1.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.452 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 169' ' ' ARG . . . . . . . . . . . . . 45.6 ttt180 63.07 29.61 16.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.545 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 170' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.427 0 CA-C-O 117.978 -1.01 . . . . 0.0 110.582 -179.955 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -123.07 -108.45 0.34 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.404 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 50.1 p-10 -65.7 -13.5 59.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.522 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.46 -36.57 75.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.374 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 5' ' ' TYR . . . . . 0.778 ' OH ' HG13 ' C' ' 79' ' ' VAL . 74.0 t80 -55.96 -49.65 72.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.308 -179.377 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 17.6 ttmt -70.7 -45.26 65.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.088 0.47 . . . . 0.0 111.025 179.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.98 -26.93 68.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.586 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.75 -39.26 84.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.212 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 58.2 t -65.74 -45.94 90.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.14 179.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -73.58 -33.06 64.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.952 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -61.86 -38.07 86.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.58 -179.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 mp -39.63 143.06 0.25 Allowed 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 120.884 0.373 . . . . 0.0 110.729 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 80.8 p -74.96 164.76 26.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.952 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -61.17 -39.17 89.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.593 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -64.46 -42.28 96.04 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.436 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -62.3 -38.32 88.94 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.281 -0.418 . . . . 0.0 109.996 -179.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -68.83 -36.46 78.22 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.266 179.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -62.02 -48.73 79.0 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 120.639 -0.424 . . . . 0.0 111.374 -179.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -64.76 -37.33 87.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.815 179.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . 0.454 ' CG ' HD21 ' C' ' 78' ' ' LEU . 0.0 OUTLIER -58.25 -49.28 77.65 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.698 179.333 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -60.17 -44.07 95.32 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.391 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.99 -40.2 94.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.508 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.56 -41.28 97.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.709 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 24' ' ' PHE . . . . . 0.639 ' CD1' ' CZ ' ' C' ' 74' ' ' PHE . 48.2 t80 -61.12 -43.78 98.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.403 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -60.06 -41.52 92.52 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.538 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 95.0 mt -66.57 -40.7 86.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 CA-C-O 120.978 0.418 . . . . 0.0 110.558 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -59.37 -40.43 86.45 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . 0.554 ' HB ' ' HB3' ' C' ' 31' ' ' ALA . 28.2 m -87.09 31.94 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.019 -179.765 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 2.4 pp -52.64 -38.85 61.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . -113.63 27.35 9.37 Favored Glycine 0 C--N 1.331 0.281 0 N-CA-C 111.863 -0.495 . . . . 0.0 111.863 -178.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 31' ' ' ALA . . . . . 0.554 ' HB3' ' HB ' ' C' ' 28' ' ' VAL . . . -119.92 102.79 8.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.856 0.36 . . . . 0.0 110.523 179.718 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -66.21 -37.6 85.96 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.905 179.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -66.97 -19.14 65.67 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.468 -179.282 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.64 10.6 81.27 Favored Glycine 0 CA--C 1.519 0.337 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 35' ' ' CYS . . . . . . . . . . . . . 77.3 m -109.14 150.56 27.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.702 0.287 . . . . 0.0 110.584 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 92.9 mt -96.9 120.14 45.86 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.343 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 77.9 p -122.91 -168.09 1.7 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.516 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 61.4 p -61.99 -39.2 91.4 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.277 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -64.37 -43.58 94.07 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.737 179.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 40' ' ' GLU . . . . . 0.508 ' CD ' ' HB2' ' C' ' 31' ' ' ALA . 79.7 mm-40 -66.77 -41.32 87.89 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 120.96 0.409 . . . . 0.0 110.561 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 11.9 mt -67.63 -37.5 82.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.708 179.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.64 -41.25 97.29 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 110.637 -0.985 . . . . 0.0 110.637 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.2 -40.15 86.42 Favored 'General case' 0 N--CA 1.44 -0.95 0 C-N-CA 120.701 -0.399 . . . . 0.0 110.333 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 58.9 t -64.25 -42.39 95.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.347 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 18.1 mmt -60.18 -34.62 73.85 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.364 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 51.1 ttm-85 -54.11 -37.29 64.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.763 -179.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 99.1 mtp -63.81 -39.08 93.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.065 0.459 . . . . 0.0 110.528 179.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 99.5 mt -67.45 -27.87 67.4 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.473 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.84 25.98 6.96 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -120.2 141.44 49.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.811 0.339 . . . . 0.0 110.719 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 -132.01 69.64 80.69 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.275 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -75.33 -167.41 0.43 Allowed 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 123.083 2.522 . . . . 0.0 112.206 -179.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 16.6 p -106.33 152.83 40.66 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.811 -179.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -60.5 -31.37 92.36 Favored 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.355 2.037 . . . . 0.0 112.219 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -64.0 -41.24 97.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.157 0.504 . . . . 0.0 110.026 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -66.22 -41.58 89.89 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.108 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 63.7 mt -64.88 -37.91 89.2 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.292 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -60.92 -44.62 96.94 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.499 -179.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -67.53 -37.85 83.37 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.52 179.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 28.4 ttt -59.7 -45.26 92.67 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.332 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 61' ' ' ILE . . . . . 0.51 HG21 ' C ' ' C' ' 70' ' ' GLY . 96.0 mt -63.85 -41.47 92.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.466 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -59.44 -41.95 90.78 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.759 -179.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -66.36 -42.23 88.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.842 0.353 . . . . 0.0 110.345 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 96.7 t -77.48 -32.64 18.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.789 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 65' ' ' ASP . . . . . 0.545 ' OD2' ' N ' ' C' ' 69' ' ' SER . 59.5 t0 -83.93 111.41 19.22 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.514 -179.542 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -65.69 -37.9 87.74 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.616 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.64 -11.43 51.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 -179.488 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.76 20.15 73.94 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 69' ' ' SER . . . . . 0.545 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 41.1 m -49.66 -27.71 5.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.828 0.347 . . . . 0.0 110.268 -179.518 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 70' ' ' GLY . . . . . 0.51 ' C ' HG21 ' C' ' 61' ' ' ILE . . . 96.82 -7.12 64.99 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 179.728 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 66.2 p -140.39 163.27 33.24 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.704 0.288 . . . . 0.0 110.612 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 56.0 t -111.24 123.21 66.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.531 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 73' ' ' ASP . . . . . 0.437 ' H ' ' HB2' ' C' ' 76' ' ' GLU . 16.6 t0 -96.63 -170.58 2.09 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.686 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 74' ' ' PHE . . . . . 0.639 ' CZ ' ' CD1' ' C' ' 24' ' ' PHE . 64.7 m-85 -60.5 -49.92 75.61 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.125 -179.673 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -63.36 -45.18 92.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.128 0.489 . . . . 0.0 110.867 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . 0.437 ' HB2' ' H ' ' C' ' 73' ' ' ASP . 50.6 mt-10 -64.43 -36.35 83.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.566 178.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -58.53 -47.05 85.45 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 78' ' ' LEU . . . . . 0.454 HD21 ' CG ' ' C' ' 20' ' ' PHE . 87.7 mt -62.32 -38.34 89.07 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.339 -0.544 . . . . 0.0 110.546 179.535 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 79' ' ' VAL . . . . . 0.778 HG13 ' OH ' ' C' ' 5' ' ' TYR . 78.9 t -64.62 -42.25 94.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.823 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 2.0 ptt? -62.79 -30.81 71.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.982 -178.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 1.9 mtp -68.16 -53.42 25.25 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.447 -179.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 74.7 t -66.41 -42.96 91.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.652 179.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -62.05 -40.63 96.39 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.667 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 84' ' ' CYS . . . . . 0.406 ' O ' ' OD1' ' C' ' 88' ' ' ASP . 42.9 t -57.31 -46.7 82.93 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.209 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 82.6 mmm -63.07 -41.91 99.56 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.443 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -68.39 -39.86 81.56 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.648 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 87' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -59.49 -38.78 81.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.646 -178.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 88' ' ' ASP . . . . . 0.422 ' OD1' ' O ' ' C' ' 88' ' ' ASP . 58.3 p30 -120.27 72.37 0.94 Allowed 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.881 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 15.9 t . . . . . 0 C--N 1.326 -0.441 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.609 179.641 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' I' I ' 144' ' ' ARG . . . . . . . . . . . . . 87.9 mtm180 . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' I' I ' 145' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -64.54 -18.2 64.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.801 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 146' ' ' VAL . . . . . . . . . . . . . 30.0 m -71.78 -17.81 19.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.766 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 147' ' ' ARG . . . . . . . . . . . . . 54.2 ttt180 -77.52 123.07 26.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.326 -179.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 148' ' ' ILE . . . . . . . . . . . . . 36.6 mt -126.7 -62.65 1.23 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.955 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 149' ' ' SER . . . . . 0.402 ' OG ' ' N ' ' I' ' 150' ' ' ALA . 29.6 t 50.74 -157.78 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.284 -179.739 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' I' I ' 150' ' ' ALA . . . . . 0.402 ' N ' ' OG ' ' I' ' 149' ' ' SER . . . -92.85 -16.01 25.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.428 179.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' I' I ' 151' ' ' ASP . . . . . 0.458 ' OD1' ' NE2' ' I' ' 155' ' ' GLN . 64.9 t0 -60.99 -47.99 83.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.759 -179.526 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . -61.72 -41.54 97.76 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.564 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 72.8 mtp -67.35 -40.14 85.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.26 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 154' ' ' MET . . . . . . . . . . . . . 8.4 mmt -63.34 -41.81 98.9 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.787 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 155' ' ' GLN . . . . . 0.458 ' NE2' ' OD1' ' I' ' 151' ' ' ASP . 74.0 mt-30 -63.15 -39.56 95.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.419 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . -61.43 -38.78 88.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.475 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 157' ' ' LEU . . . . . . . . . . . . . 95.7 mt -89.28 117.16 28.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.724 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 158' ' ' LEU . . . . . . . . . . . . . 1.4 pp -63.28 -11.42 21.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.537 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 159' ' ' GLY . . . . . . . . . . . . . . . -60.51 -39.54 96.52 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 160' ' ' ALA . . . . . . . . . . . . . . . -93.07 161.32 14.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.741 0.305 . . . . 0.0 110.534 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 161' ' ' ARG . . . . . . . . . . . . . 20.0 ptp180 -128.76 155.29 45.36 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.414 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 162' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -136.24 119.97 17.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.668 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 163' ' ' LYS . . . . . . . . . . . . . 51.3 mttp -107.11 -30.1 8.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.686 179.254 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 164' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -151.8 -49.69 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.538 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 165' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 173.85 169.93 0.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.587 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' I' I ' 166' ' ' LEU . . . . . . . . . . . . . 86.4 mt -87.2 64.24 8.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.521 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 167' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -132.67 -179.48 5.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.625 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 168' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 51.08 81.99 0.06 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.456 179.739 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' I' I ' 169' ' ' ARG . . . . . . . . . . . . . 18.2 mmt85 55.92 46.65 21.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.488 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 170' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 118.079 -0.962 . . . . 0.0 110.705 -179.968 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 83.0 mtp . . . . . 0 N--CA 1.489 1.508 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -79.88 -29.84 40.04 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -61.49 -45.73 93.01 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.893 -179.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 16.0 tt -74.14 -32.07 31.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.339 179.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 5' ' ' TYR . . . . . 0.45 ' OH ' ' O ' ' C' ' 79' ' ' VAL . 10.9 t80 -61.26 -50.18 74.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.933 0.397 . . . . 0.0 110.54 -179.23 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -64.1 -42.58 96.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.046 0.45 . . . . 0.0 110.101 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.49 -36.22 83.03 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.33 179.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.7 -43.6 97.57 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.259 -179.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 53.1 t -63.63 -47.48 91.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.865 179.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -67.06 -29.09 68.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.536 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 9.6 tp-100 -61.81 -27.5 68.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.521 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 95.7 mt -55.16 133.66 49.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.117 0.484 . . . . 0.0 110.711 -179.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 82.1 p -80.48 166.99 20.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.65 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 14' ' ' GLU . . . . . 0.44 ' H ' ' CD ' ' C' ' 14' ' ' GLU . 43.5 mp0 -62.93 -39.24 93.98 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.389 -179.391 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -67.92 -41.29 82.85 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.875 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 26.6 mm100 -63.52 -40.79 97.96 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.138 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 19.3 mtpp -63.91 -39.78 94.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.515 179.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -63.35 -39.9 95.8 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.057 -0.657 . . . . 0.0 111.109 179.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -61.86 -40.17 94.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.596 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . 0.865 ' CE2' HD21 ' C' ' 78' ' ' LEU . 0.0 OUTLIER -74.24 -41.03 61.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.806 179.56 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.46 -42.54 70.75 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.285 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.01 -40.91 95.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.008 0.432 . . . . 0.0 110.049 179.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.45 -39.76 94.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.355 179.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -58.9 -46.99 86.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.231 -179.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 25' ' ' ASP . . . . . 0.435 ' O ' HG22 ' C' ' 28' ' ' VAL . 96.7 m-20 -62.21 -35.0 77.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.095 179.607 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 26' ' ' ILE . . . . . 0.424 ' O ' HD23 ' C' ' 29' ' ' LEU . 94.5 mt -75.84 -37.84 35.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.827 179.02 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 27' ' ' PHE . . . . . 0.431 ' C ' ' H ' ' C' ' 29' ' ' LEU . 1.4 m-85 -59.56 -37.42 78.39 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.41 -179.567 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . 0.435 HG22 ' O ' ' C' ' 25' ' ' ASP . 26.4 m -72.06 13.96 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.994 -179.269 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 29' ' ' LEU . . . . . 0.431 ' H ' ' C ' ' C' ' 27' ' ' PHE . 2.8 pp -50.47 -38.86 46.1 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.724 179.582 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 30' ' ' GLY . . . . . 0.426 ' N ' HD12 ' C' ' 29' ' ' LEU . . . -85.35 -1.46 88.06 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 -179.089 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 31' ' ' ALA . . . . . 0.439 ' CB ' ' O ' ' C' ' 35' ' ' CYS . . . -128.39 102.36 6.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.92 0.39 . . . . 0.0 110.35 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 25.6 pt-20 -65.44 -19.83 66.1 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.271 0.558 . . . . 0.0 110.981 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.21 -15.74 63.7 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.679 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.73 12.65 71.53 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 35' ' ' CYS . . . . . 0.439 ' O ' ' CB ' ' C' ' 31' ' ' ALA . 72.8 m -125.79 153.6 43.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.863 0.363 . . . . 0.0 110.729 179.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 96.8 mt -94.87 127.14 47.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.625 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 94.2 p -142.12 -169.27 2.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.465 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 59.3 p -59.28 -36.74 76.12 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.288 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -62.95 -43.69 98.11 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.687 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -68.33 -41.31 80.99 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.308 0.575 . . . . 0.0 110.731 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.39 -28.12 69.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.2 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.87 -39.87 97.49 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.715 -0.954 . . . . 0.0 110.715 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.44 -41.15 69.83 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-O 121.012 0.434 . . . . 0.0 110.41 179.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 74.7 t -63.56 -45.73 96.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.667 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 8.0 mmt -62.25 -40.67 96.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.83 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -60.96 -41.37 96.23 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.502 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 28.2 ttt -60.2 -39.98 88.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.681 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 96.7 mt -73.46 -6.87 49.13 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.577 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 91.37 11.45 60.99 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -97.39 142.96 28.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.988 0.423 . . . . 0.0 110.503 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -130.34 67.99 80.7 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.569 179.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -74.5 -169.04 0.54 Allowed 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.796 2.331 . . . . 0.0 111.928 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.37 158.03 75.6 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.454 -179.633 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -49.59 -25.4 10.91 Favored 'Trans proline' 0 N--CA 1.492 1.388 0 C-N-CA 122.084 1.856 . . . . 0.0 112.477 179.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -65.56 -51.65 58.24 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.112 0.482 . . . . 0.0 111.365 -178.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.68 -33.44 53.27 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.947 -179.068 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 54.5 mt -64.66 -42.95 95.04 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.063 0.459 . . . . 0.0 110.576 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 58' ' ' GLN . . . . . 0.479 HE22 ' CA ' ' C' ' 70' ' ' GLY . 71.9 tp60 -66.91 -44.23 81.3 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.588 179.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -62.85 -37.37 86.57 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.711 -179.197 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 60.4 ttm -60.54 -48.12 83.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.338 0.589 . . . . 0.0 110.525 -179.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 61' ' ' ILE . . . . . 0.555 HG21 ' C ' ' C' ' 70' ' ' GLY . 95.3 mt -62.99 -38.85 83.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.335 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 62' ' ' ASP . . . . . 0.441 ' OD2' ' O ' ' C' ' 58' ' ' GLN . 3.7 m-20 -57.89 -41.06 81.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.523 -179.561 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -63.44 -39.82 95.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.919 0.39 . . . . 0.0 110.025 179.277 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 67.5 t -77.07 -32.05 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.51 179.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 65' ' ' ASP . . . . . 0.458 ' OD2' ' O ' ' C' ' 71' ' ' THR . 91.7 m-20 -87.78 120.5 29.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.92 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -68.62 -39.38 80.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.477 179.21 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 57.0 p30 -82.86 -10.77 58.68 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.994 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 67.0 24.02 72.99 Favored Glycine 0 CA--C 1.52 0.398 0 N-CA-C 110.5 -1.04 . . . . 0.0 110.5 179.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 89.7 p -57.89 -31.21 66.51 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.63 -179.371 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 70' ' ' GLY . . . . . 0.555 ' C ' HG21 ' C' ' 61' ' ' ILE . . . 102.29 -1.29 50.38 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 71' ' ' THR . . . . . 0.458 ' O ' ' OD2' ' C' ' 65' ' ' ASP . 38.5 p -130.7 154.95 47.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.707 0.289 . . . . 0.0 110.321 179.68 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 54.2 t -103.65 126.11 58.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.232 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.2 177.75 6.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.634 -179.47 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 74' ' ' PHE . . . . . 0.559 ' CZ ' ' CZ ' ' C' ' 20' ' ' PHE . 16.5 t80 -60.77 -49.62 76.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.558 -178.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -66.15 -40.21 90.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.615 179.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -63.5 -39.33 94.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.327 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -62.6 -42.08 99.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.953 -179.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 78' ' ' LEU . . . . . 0.865 HD21 ' CE2' ' C' ' 20' ' ' PHE . 78.0 mt -61.73 -39.34 91.21 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.831 179.723 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 79' ' ' VAL . . . . . 0.45 ' O ' ' OH ' ' C' ' 5' ' ' TYR . 61.2 t -63.27 -39.61 85.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.279 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -66.67 -35.62 80.58 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.001 0.429 . . . . 0.0 109.929 -178.699 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 68.4 mtp -65.68 -42.82 90.84 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.265 -179.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 72.8 t -65.53 -41.0 89.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.853 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 83' ' ' ARG . . . . . 0.567 ' O ' ' N ' ' C' ' 87' ' ' ASP . 12.7 mtp85 -56.03 -47.61 77.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.648 179.738 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 84' ' ' CYS . . . . . . . . . . . . . 95.6 m -61.59 -39.76 92.38 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.195 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 7.9 mmt -72.2 -41.5 66.89 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.075 -0.511 . . . . 0.0 112.122 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 16.2 mmtp -93.65 -6.93 45.28 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.828 0.347 . . . . 0.0 111.39 -179.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 87' ' ' ASP . . . . . 0.567 ' N ' ' O ' ' C' ' 83' ' ' ARG . 22.7 t0 -147.43 137.93 23.32 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.373 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -94.88 72.33 3.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.402 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.324 -0.521 0 CA-C-O 118.207 -0.902 . . . . 0.0 110.729 179.697 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' I' I ' 144' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' I' I ' 145' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -87.22 128.68 35.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.613 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 146' ' ' VAL . . . . . 0.511 HG12 ' HG3' ' I' ' 147' ' ' ARG . 57.6 t -100.9 -58.26 4.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.408 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' I' I ' 147' ' ' ARG . . . . . 0.551 ' O ' ' N ' ' I' ' 149' ' ' SER . 77.1 mtp85 -141.73 124.43 15.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.329 179.445 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' I' I ' 148' ' ' ILE . . . . . 0.497 ' O ' ' CG1' ' I' ' 148' ' ' ILE . 1.7 tt 26.2 40.66 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 O-C-N 123.929 0.768 . . . . 0.0 111.062 179.636 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' I' I ' 149' ' ' SER . . . . . 0.551 ' N ' ' O ' ' I' ' 147' ' ' ARG . 15.2 m 46.56 73.77 0.17 Allowed 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.856 -179.237 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' I' I ' 150' ' ' ALA . . . . . . . . . . . . . . . -58.47 -37.95 76.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.515 -179.224 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 151' ' ' ASP . . . . . 0.481 ' OD1' ' N ' ' I' ' 152' ' ' ALA . 59.1 p30 -59.4 -15.97 20.25 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.0 0.428 . . . . 0.0 110.511 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' I' I ' 152' ' ' ALA . . . . . 0.481 ' N ' ' OD1' ' I' ' 151' ' ' ASP . . . -61.59 -38.27 86.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.665 179.573 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.67 -48.88 78.27 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.912 -179.516 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' I' I ' 154' ' ' MET . . . . . 0.48 ' O ' ' O ' ' I' ' 157' ' ' LEU . 17.9 mmt -63.59 -39.75 95.19 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.908 179.236 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -64.48 -39.99 94.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.866 0.365 . . . . 0.0 110.897 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . -61.43 -41.13 96.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.811 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 157' ' ' LEU . . . . . 0.48 ' O ' ' O ' ' I' ' 154' ' ' MET . 1.4 pp -108.86 -174.68 2.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.265 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' I' I ' 158' ' ' LEU . . . . . . . . . . . . . 2.3 mp -120.23 118.81 31.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.509 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 159' ' ' GLY . . . . . . . . . . . . . . . -140.94 -99.75 0.39 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 160' ' ' ALA . . . . . . . . . . . . . . . -74.13 1.98 9.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.807 0.337 . . . . 0.0 110.543 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 161' ' ' ARG . . . . . . . . . . . . . 3.6 tpp180 55.16 16.61 1.66 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.415 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 162' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 56.34 34.32 23.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.317 0.58 . . . . 0.0 110.586 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' I' I ' 163' ' ' LYS . . . . . 0.521 ' O ' ' N ' ' I' ' 165' ' ' SER . 54.1 mttp -47.63 109.7 0.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.045 0.45 . . . . 0.0 110.486 179.473 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' I' I ' 164' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 58.45 -78.21 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.464 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 165' ' ' SER . . . . . 0.521 ' N ' ' O ' ' I' ' 163' ' ' LYS . 50.6 m -156.2 77.64 0.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.441 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' I' I ' 166' ' ' LEU . . . . . . . . . . . . . 95.7 mt 43.68 -128.58 0.85 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.539 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 167' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -104.61 138.78 40.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.544 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 168' ' ' LEU . . . . . . . . . . . . . 41.6 mt -89.8 0.75 56.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.704 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 169' ' ' ARG . . . . . . . . . . . . . 80.1 mtm180 53.99 42.61 31.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.376 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 170' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.653 -179.851 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 66.9 ttp . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -55.89 -13.44 1.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.454 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -60.5 -39.34 87.39 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.52 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 51.2 mm -63.93 -41.0 91.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.739 -179.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 5' ' ' TYR . . . . . 0.444 ' OH ' ' O ' ' C' ' 79' ' ' VAL . 9.5 t80 -64.39 -45.8 86.11 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 -179.198 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 47.8 mmtt -62.63 -41.46 99.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.09 0.472 . . . . 0.0 110.795 179.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' C' ' 11' ' ' GLN . . . -62.04 -38.28 88.09 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.953 179.333 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.45 -40.09 93.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.199 0.523 . . . . 0.0 110.772 -179.463 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . 0.506 ' O ' HD11 ' C' ' 12' ' ' LEU . 54.2 t -68.3 -32.4 55.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.025 179.448 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -90.2 -27.46 19.52 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.099 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 11' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' C' ' 7' ' ' ALA . 34.5 mt-30 -67.64 -39.67 84.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.971 179.269 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . 0.568 ' O ' HD12 ' C' ' 12' ' ' LEU . 0.7 OUTLIER -46.34 172.26 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.539 0 CA-C-O 121.138 0.494 . . . . 0.0 111.011 -179.402 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 30.8 p -106.82 171.87 7.13 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.5 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.38 -35.07 78.02 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.079 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -61.62 -43.61 98.55 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.51 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -66.08 -39.06 89.73 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.421 0.629 . . . . 0.0 109.895 179.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.72 -27.51 61.23 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.079 179.082 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -69.02 -50.43 48.75 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 120.427 -0.509 . . . . 0.0 111.733 -179.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -64.97 -40.04 94.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.11 0.481 . . . . 0.0 110.151 -179.289 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . 0.59 ' CD1' ' N ' ' C' ' 21' ' ' LYS . 0.1 OUTLIER -60.37 -48.87 79.87 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.373 179.368 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 21' ' ' LYS . . . . . 0.59 ' N ' ' CD1' ' C' ' 20' ' ' PHE . 63.3 tttm -61.02 -43.54 98.74 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.481 179.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.44 -42.57 98.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.743 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.74 -39.83 95.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.671 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 24' ' ' PHE . . . . . 0.403 ' O ' HG22 ' C' ' 28' ' ' VAL . 70.9 t80 -60.33 -44.86 95.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.37 -179.462 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.15 -41.28 96.47 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.856 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 26' ' ' ILE . . . . . 0.49 ' O ' HD23 ' C' ' 29' ' ' LEU . 97.2 mt -68.86 -40.43 81.23 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.305 0 CA-C-O 121.117 0.484 . . . . 0.0 110.696 179.384 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -59.54 -38.32 80.75 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.087 -179.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . 0.531 HG11 ' O ' ' C' ' 34' ' ' GLY . 23.1 m -92.43 32.28 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.047 -179.499 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 29' ' ' LEU . . . . . 0.49 HD23 ' O ' ' C' ' 26' ' ' ILE . 2.7 pp -60.92 -35.95 78.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.771 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . -98.1 -3.73 57.79 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 111.282 -0.727 . . . . 0.0 111.282 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 31' ' ' ALA . . . . . 0.452 ' CB ' ' O ' ' C' ' 35' ' ' CYS . . . -105.89 106.97 17.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.775 0.322 . . . . 0.0 110.34 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -69.86 -32.1 70.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.239 0.542 . . . . 0.0 110.951 -179.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -69.26 -19.74 63.93 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.724 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . 0.531 ' O ' HG11 ' C' ' 28' ' ' VAL . . . 93.09 4.71 64.54 Favored Glycine 0 CA--C 1.521 0.441 0 N-CA-C 110.692 -0.963 . . . . 0.0 110.692 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 35' ' ' CYS . . . . . 0.452 ' O ' ' CB ' ' C' ' 31' ' ' ALA . 19.7 p -93.19 159.18 15.39 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 121.098 -0.241 . . . . 0.0 110.437 179.624 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 73.0 mt -115.76 123.43 71.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 N-CA-C 109.975 -0.379 . . . . 0.0 109.975 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 40.5 p -116.42 -172.05 2.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.18 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 68.8 p -64.85 -25.13 67.77 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.283 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -70.94 -47.79 57.05 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 25.4 mp0 -65.31 -38.94 91.72 Favored 'General case' 0 CA--C 1.522 -0.118 0 CA-C-O 120.784 0.326 . . . . 0.0 110.857 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 14.8 mt -64.03 -12.04 34.83 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.911 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.83 -37.94 93.26 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 43' ' ' LYS . . . . . 0.46 ' N ' ' CD ' ' C' ' 43' ' ' LYS . 2.6 mptp? -65.58 -38.06 88.42 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.958 0.409 . . . . 0.0 110.471 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 72.1 t -62.12 -46.27 96.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.729 -179.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 24.8 mmt -63.31 -39.1 93.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.738 -179.378 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 56.3 ttp180 -59.5 -42.23 91.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.077 0.465 . . . . 0.0 110.074 -179.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 25.2 mmt -63.97 -37.13 86.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.468 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 91.9 mt -78.29 -3.02 40.83 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.571 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.16 25.85 67.74 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -115.03 142.72 46.25 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 121.03 0.443 . . . . 0.0 110.541 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 21.2 p30 -135.65 68.97 66.64 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 115.778 -0.647 . . . . 0.0 111.039 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -75.41 -168.48 0.53 Allowed 'Trans proline' 0 C--N 1.306 -1.705 0 C-N-CA 122.946 2.431 . . . . 0.0 112.026 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 2.5 p -105.15 156.04 36.79 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.377 -179.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -52.18 -36.89 68.6 Favored 'Trans proline' 0 N--CA 1.497 1.69 0 C-N-CA 122.118 1.879 . . . . 0.0 112.229 179.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -64.41 -39.77 94.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.291 0.567 . . . . 0.0 110.579 -179.188 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -65.45 -41.26 93.62 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.377 -179.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 11.7 mt -61.82 -39.36 91.51 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.701 179.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 71.2 tp60 -63.92 -41.87 97.54 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.545 -179.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -65.24 -38.52 90.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.774 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 22.2 mmt -61.15 -42.57 98.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.679 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 61' ' ' ILE . . . . . 0.544 HG21 ' C ' ' C' ' 70' ' ' GLY . 96.2 mt -65.9 -40.3 87.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.647 179.51 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 60.9 t0 -59.66 -44.93 93.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.072 -179.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -63.99 -40.71 96.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.816 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 93.9 t -81.16 -32.28 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 65' ' ' ASP . . . . . 0.517 ' OD2' ' N ' ' C' ' 69' ' ' SER . 68.0 t0 -76.62 118.28 19.1 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.981 -179.557 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -67.18 -40.97 86.63 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.94 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 67' ' ' ASP . . . . . 0.438 ' OD1' ' OD2' ' C' ' 65' ' ' ASP . 2.3 p30 -82.79 -12.74 57.26 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.082 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 66.11 22.8 70.98 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 110.625 -0.99 . . . . 0.0 110.625 179.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 69' ' ' SER . . . . . 0.517 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 90.7 p -60.51 -22.09 63.19 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.743 0.306 . . . . 0.0 110.807 -179.52 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 70' ' ' GLY . . . . . 0.544 ' C ' HG21 ' C' ' 61' ' ' ILE . . . 93.72 -9.22 73.71 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 72.3 p -130.45 159.92 35.61 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 48.4 t -111.66 124.5 68.48 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-O 121.016 0.436 . . . . 0.0 110.137 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 73' ' ' ASP . . . . . 0.447 ' H ' ' HB2' ' C' ' 76' ' ' GLU . 97.8 m-20 -91.81 -178.76 5.13 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.663 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -59.17 -50.27 74.66 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.428 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 75' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' C' ' 76' ' ' GLU . 43.1 p-10 -68.61 -39.16 80.97 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.741 179.699 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . 0.532 ' N ' ' OD1' ' C' ' 75' ' ' ASP . 98.3 mt-10 -64.67 -39.21 93.29 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.962 0.41 . . . . 0.0 110.551 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -62.81 -41.47 99.31 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -179.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 11.4 tp -62.56 -38.32 89.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.014 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 79' ' ' VAL . . . . . 0.465 HG23 ' O ' ' C' ' 75' ' ' ASP . 87.1 t -65.01 -39.82 86.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.627 -179.491 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 16.4 tmm? -63.78 -39.98 95.56 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.639 -179.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 17.3 ttt -61.7 -50.46 72.36 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.506 -179.408 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 66.0 t -67.94 -41.69 84.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.696 179.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 38.6 ttt85 -60.46 -42.09 95.5 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-O 120.903 0.382 . . . . 0.0 110.436 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 84' ' ' CYS . . . . . . . . . . . . . 52.6 t -60.49 -44.56 95.83 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.392 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 3.3 mmt -63.36 -60.54 3.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.329 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.91 -9.13 18.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.681 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 87' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -42.94 130.23 4.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.365 -179.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -120.08 73.68 0.99 Allowed 'General case' 0 C--O 1.232 0.132 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.5 -179.666 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 5.0 t . . . . . 0 C--N 1.323 -0.544 0 CA-C-O 118.039 -0.982 . . . . 0.0 110.823 179.737 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' I' I ' 144' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' I' I ' 145' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 58.19 74.12 0.44 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.69 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 146' ' ' VAL . . . . . . . . . . . . . 11.4 p -142.43 136.85 28.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.537 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 147' ' ' ARG . . . . . 0.437 ' O ' ' O ' ' I' ' 148' ' ' ILE . 72.6 mmt-85 51.82 74.05 0.28 Allowed 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.845 179.509 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' I' I ' 148' ' ' ILE . . . . . 0.437 ' O ' ' O ' ' I' ' 147' ' ' ARG . 93.4 mt 58.43 147.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.462 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' I' I ' 149' ' ' SER . . . . . . . . . . . . . 35.2 p -156.93 -118.86 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.482 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 150' ' ' ALA . . . . . . . . . . . . . . . -130.74 -46.04 1.05 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.637 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 151' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -63.07 -38.41 91.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.406 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . -61.34 -41.49 97.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.768 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 153' ' ' MET . . . . . . . . . . . . . 66.1 mtt -63.27 -41.01 98.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.846 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 154' ' ' MET . . . . . . . . . . . . . 37.5 mmt -63.46 -41.64 98.62 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.33 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -64.75 -40.77 95.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.988 0.423 . . . . 0.0 110.552 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . -61.84 -37.84 85.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.487 179.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 157' ' ' LEU . . . . . 0.473 ' O ' ' CB ' ' I' ' 158' ' ' LEU . 20.0 mt -71.85 0.82 8.16 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.67 -179.405 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' I' I ' 158' ' ' LEU . . . . . 0.473 ' CB ' ' O ' ' I' ' 157' ' ' LEU . 2.1 tp 80.6 -67.04 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.22 179.668 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' I' I ' 159' ' ' GLY . . . . . . . . . . . . . . . 56.16 -130.11 48.83 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 160' ' ' ALA . . . . . . . . . . . . . . . -98.94 -156.92 0.57 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.765 0.317 . . . . 0.0 110.494 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 161' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -76.16 -16.55 59.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.568 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 162' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 56.25 19.27 3.79 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.691 -179.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 163' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -62.94 -44.23 96.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.749 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 164' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -102.14 -1.81 30.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.763 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 165' ' ' SER . . . . . . . . . . . . . 1.4 t 69.67 -157.81 0.16 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.379 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 166' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.48 -45.86 16.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.743 -179.741 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' I' I ' 167' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -161.4 -47.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.573 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 168' ' ' LEU . . . . . 0.408 ' H ' HD12 ' I' ' 168' ' ' LEU . 0.3 OUTLIER -152.33 -173.87 4.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.665 -179.671 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' I' I ' 169' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -49.03 129.8 17.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.541 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 170' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 118.071 -0.966 . . . . 0.0 110.519 -179.95 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -61.55 -40.47 94.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.531 -179.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -62.52 -42.32 99.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.348 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 48.6 mm -65.11 -41.95 93.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.48 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 5' ' ' TYR . . . . . 0.518 ' OH ' HG13 ' C' ' 79' ' ' VAL . 49.0 t80 -59.02 -49.8 76.5 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.794 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -61.52 -47.33 86.07 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.365 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' C' ' 11' ' ' GLN . . . -65.03 -37.92 89.19 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.723 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.95 -44.59 95.65 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.835 -179.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 77.4 t -70.3 -42.35 78.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.277 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -81.78 -17.04 49.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.691 -179.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 11' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' C' ' 7' ' ' ALA . 4.1 tt0 -128.09 33.13 4.79 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.958 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . 0.63 HD23 ' N ' ' C' ' 12' ' ' LEU . 0.5 OUTLIER -63.45 172.89 1.8 Allowed 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 121.124 0.488 . . . . 0.0 110.889 179.31 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 60.0 p -88.72 159.15 17.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.103 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -68.95 -32.17 71.57 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.511 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -64.57 -40.58 95.8 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.887 179.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -64.22 -39.74 94.61 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.993 178.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -60.81 -40.62 93.43 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.789 179.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -66.13 -45.95 79.25 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 119.993 -0.683 . . . . 0.0 110.503 -179.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -65.3 -40.4 93.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.552 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . 0.46 ' CG ' ' N ' ' C' ' 21' ' ' LYS . 0.0 OUTLIER -58.43 -51.67 68.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.958 179.74 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 21' ' ' LYS . . . . . 0.46 ' N ' ' CG ' ' C' ' 20' ' ' PHE . 0.8 OUTLIER -62.41 -42.58 99.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.379 -179.863 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.9 -42.92 99.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.991 0.424 . . . . 0.0 110.919 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.62 -40.17 96.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.613 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 24' ' ' PHE . . . . . 0.696 ' O ' HG22 ' C' ' 28' ' ' VAL . 32.7 t80 -61.69 -41.04 97.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.035 -179.553 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -62.85 -41.42 99.36 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.738 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 97.9 mt -65.74 -44.06 93.31 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 CA-C-O 120.985 0.422 . . . . 0.0 110.726 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -60.55 -42.13 95.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.079 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . 0.696 HG22 ' O ' ' C' ' 24' ' ' PHE . 25.2 m -91.38 33.47 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.222 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -37.79 83.55 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 O-C-N 123.694 0.621 . . . . 0.0 111.245 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 30' ' ' GLY . . . . . 0.626 ' N ' ' O ' ' C' ' 28' ' ' VAL . . . 56.35 31.81 60.0 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.598 -1.001 . . . . 0.0 110.598 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.52 131.36 45.94 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.596 -179.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -66.28 -29.2 69.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.86 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -85.43 -20.71 29.4 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.889 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 77.23 9.54 86.74 Favored Glycine 0 CA--C 1.521 0.417 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 35' ' ' CYS . . . . . . . . . . . . . 66.8 m -139.95 169.87 16.9 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.811 0.339 . . . . 0.0 110.95 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 4.8 mp -96.3 117.25 40.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.43 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 37' ' ' SER . . . . . 0.411 ' N ' ' OE1' ' C' ' 40' ' ' GLU . 3.7 p -127.73 -168.83 1.95 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.018 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 82.7 p -65.54 -25.34 67.39 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.486 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -76.73 -48.17 19.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.029 0.443 . . . . 0.0 110.522 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 40' ' ' GLU . . . . . 0.411 ' OE1' ' N ' ' C' ' 37' ' ' SER . 61.1 mp0 -63.43 -42.94 98.71 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.279 0.562 . . . . 0.0 110.369 -179.344 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 41' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' C' ' 41' ' ' LEU . 92.7 mt -65.81 -36.04 82.4 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.295 179.491 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.38 -40.48 96.1 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -66.53 -40.75 89.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.021 0.439 . . . . 0.0 110.376 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 64.9 t -67.45 -42.66 87.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.777 179.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 20.0 mmt -59.96 -36.06 76.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.86 -179.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -53.68 -38.64 64.38 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.045 -179.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 73.4 mtm -72.3 -20.78 61.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.97 0.414 . . . . 0.0 110.647 179.445 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 91.4 mt -86.06 -3.2 58.89 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.477 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.59 16.82 72.37 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -116.04 134.56 54.83 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.042 0.448 . . . . 0.0 110.365 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 -132.43 70.12 79.81 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.557 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -75.49 -170.55 0.83 Allowed 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.868 2.379 . . . . 0.0 112.04 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 16.0 p -111.52 151.47 43.31 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.951 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -45.78 -35.37 13.38 Favored 'Trans proline' 0 C--N 1.314 -1.285 0 C-N-CA 122.29 1.993 . . . . 0.0 112.254 179.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -64.59 -42.6 95.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.12 0.486 . . . . 0.0 110.398 -179.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -69.56 -41.26 76.1 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.402 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 57' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' C' ' 57' ' ' LEU . 96.0 mt -64.5 -37.92 89.23 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.196 179.693 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 23.1 tm0? -61.92 -42.95 99.69 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.668 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -63.72 -40.89 97.89 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.478 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 89.9 mmm -61.01 -44.03 98.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.917 0.389 . . . . 0.0 110.321 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 61' ' ' ILE . . . . . 0.582 HG21 ' C ' ' C' ' 70' ' ' GLY . 96.1 mt -65.48 -45.86 91.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.518 179.474 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -57.2 -33.74 67.8 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.897 -179.095 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -60.18 -39.48 86.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 10.7 m -104.97 6.38 10.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.976 -179.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 65' ' ' ASP . . . . . 0.538 ' CG ' ' H ' ' C' ' 68' ' ' GLY . 51.1 t0 -84.94 132.89 34.3 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.769 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -85.43 -34.33 21.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.041 179.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 67' ' ' ASP . . . . . 0.472 ' OD1' ' OD1' ' C' ' 65' ' ' ASP . 59.2 p30 -102.81 -9.94 19.53 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.224 -179.791 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 68' ' ' GLY . . . . . 0.538 ' H ' ' CG ' ' C' ' 65' ' ' ASP . . . 70.46 17.29 74.39 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.473 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 69' ' ' SER . . . . . 0.534 ' N ' ' OD2' ' C' ' 65' ' ' ASP . 98.4 p -62.62 -19.09 63.43 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.669 0.271 . . . . 0.0 110.735 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 70' ' ' GLY . . . . . 0.582 ' C ' HG21 ' C' ' 61' ' ' ILE . . . 94.87 5.26 61.23 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 110.859 -0.897 . . . . 0.0 110.859 -179.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 79.1 p -133.39 161.79 33.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.506 0.194 . . . . 0.0 110.599 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 56.0 t -112.09 122.14 65.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.921 0.391 . . . . 0.0 110.153 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 73' ' ' ASP . . . . . 0.478 ' CG ' ' H ' ' C' ' 74' ' ' PHE . 43.5 t0 -90.18 -178.17 5.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.795 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 74' ' ' PHE . . . . . 0.622 ' CZ ' ' CE1' ' C' ' 24' ' ' PHE . 8.3 m-85 -59.43 -51.52 69.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.494 -179.706 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 75' ' ' ASP . . . . . 0.544 ' OD1' ' N ' ' C' ' 76' ' ' GLU . 42.9 p-10 -65.32 -40.77 94.17 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.232 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . 0.544 ' N ' ' OD1' ' C' ' 75' ' ' ASP . 98.8 mt-10 -64.25 -39.4 93.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.231 179.625 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -62.65 -43.08 99.72 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.151 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 27.0 tp -62.72 -39.94 95.61 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.449 -179.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 79' ' ' VAL . . . . . 0.518 HG13 ' OH ' ' C' ' 5' ' ' TYR . 68.5 t -63.09 -46.99 94.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.299 -179.354 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 80' ' ' MET . . . . . 0.442 ' C ' ' SD ' ' C' ' 80' ' ' MET . 0.0 OUTLIER -70.7 -23.88 62.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.006 0.431 . . . . 0.0 110.258 -179.346 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 81' ' ' MET . . . . . 0.464 ' O ' ' SG ' ' C' ' 84' ' ' CYS . 14.9 tpt -66.61 -52.43 45.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.601 -179.513 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 76.3 t -70.94 -42.0 77.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.623 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 49.9 ttm-85 -60.97 -46.82 89.21 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.097 -179.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 84' ' ' CYS . . . . . 0.464 ' SG ' ' O ' ' C' ' 81' ' ' MET . 21.1 p -65.19 -31.93 73.36 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.606 -0.438 . . . . 0.0 110.325 -179.706 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 10.5 tpt -66.97 -40.47 87.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.93 0.395 . . . . 0.0 110.465 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp -91.69 -0.66 57.58 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.777 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 87' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 66.16 169.97 0.23 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.275 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 88' ' ' ASP . . . . . 0.425 ' O ' ' OD1' ' C' ' 88' ' ' ASP . 59.0 p-10 -123.48 71.53 1.09 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.596 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.571 179.783 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' I' I ' 144' ' ' ARG . . . . . . . . . . . . . 36.7 ptt180 . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' I' I ' 145' ' ' ARG . . . . . . . . . . . . . 18.9 ttm-85 53.44 45.39 28.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.36 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 146' ' ' VAL . . . . . . . . . . . . . 33.6 m -41.56 146.91 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.581 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 147' ' ' ARG . . . . . . . . . . . . . 34.0 ttm105 -136.83 87.17 2.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.244 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 148' ' ' ILE . . . . . 0.403 ' O ' HG22 ' I' ' 148' ' ' ILE . 2.9 mm -134.23 -13.33 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 121.089 0.471 . . . . 0.0 110.255 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' I' I ' 149' ' ' SER . . . . . . . . . . . . . 70.7 m -46.5 146.41 1.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.422 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 150' ' ' ALA . . . . . . . . . . . . . . . -59.59 -42.92 93.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.5 -179.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 151' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -63.42 -43.4 97.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.906 0.384 . . . . 0.0 110.521 179.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . -64.48 -40.72 96.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.845 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 153' ' ' MET . . . . . 0.498 ' SD ' ' O ' ' I' ' 153' ' ' MET . 0.0 OUTLIER -59.78 -45.12 93.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.309 -179.252 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' I' I ' 154' ' ' MET . . . . . . . . . . . . . 36.5 mmt -62.63 -39.82 95.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.224 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 155' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -61.38 -51.85 67.07 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.568 -179.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . -61.92 -35.27 77.89 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.262 179.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 157' ' ' LEU . . . . . . . . . . . . . 52.6 tp -58.61 -44.07 89.8 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.369 -178.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 158' ' ' LEU . . . . . 0.507 HD23 ' C ' ' I' ' 158' ' ' LEU . 2.2 tt 167.69 -15.28 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 121.419 0.628 . . . . 0.0 110.074 -179.559 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' I' I ' 159' ' ' GLY . . . . . 0.414 ' O ' ' N ' ' I' ' 161' ' ' ARG . . . -49.52 -39.43 29.91 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.008 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' I' I ' 160' ' ' ALA . . . . . . . . . . . . . . . 51.68 -92.77 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.781 0.324 . . . . 0.0 110.615 179.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 161' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' I' ' 159' ' ' GLY . 64.1 mtm180 -124.44 135.78 53.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.606 179.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' I' I ' 162' ' ' HIS . . . . . . . . . . . . . 21.1 p80 -162.88 141.14 8.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.634 179.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 163' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -73.24 -19.31 61.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 179.537 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' I' I ' 164' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -76.47 96.65 4.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.991 0.424 . . . . 0.0 110.554 -179.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 165' ' ' SER . . . . . 0.456 ' O ' ' N ' ' I' ' 167' ' ' ASP . 66.4 m -74.45 -26.1 59.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.651 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' I' I ' 166' ' ' LEU . . . . . . . . . . . . . 85.8 mt 54.31 -87.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.571 -179.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 167' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' I' ' 165' ' ' SER . 97.6 m-20 -79.93 131.22 35.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.726 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' I' I ' 168' ' ' LEU . . . . . . . . . . . . . 64.5 mt -120.76 -27.9 4.97 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.734 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 169' ' ' ARG . . . . . . . . . . . . . 33.6 ptt180 -121.9 2.0 9.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.855 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 170' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.556 179.863 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpp? . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -89.45 124.48 34.52 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 121.046 0.45 . . . . 0.0 110.589 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 3' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' C' ' 3' ' ' ASP . 15.2 p-10 -66.99 -40.41 87.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.205 -179.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 4' ' ' ILE . . . . . 0.41 HD13 HG21 ' C' ' 4' ' ' ILE . 27.6 pt -62.03 -37.05 77.41 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 CA-C-O 120.985 0.421 . . . . 0.0 110.708 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 5' ' ' TYR . . . . . 0.729 ' OH ' HG13 ' C' ' 79' ' ' VAL . 85.1 t80 -62.48 -50.5 71.19 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.011 179.697 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -62.87 -44.51 95.93 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.054 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.69 -39.45 91.49 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.444 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.36 -46.58 88.0 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.059 -0.656 . . . . 0.0 110.731 -179.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 61.4 t -63.75 -46.79 93.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.808 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 40.5 tp10 -66.87 -34.07 76.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.189 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 11' ' ' GLN . . . . . 0.44 ' O ' ' C ' ' C' ' 12' ' ' LEU . 66.7 tt0 -61.1 -38.03 84.86 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.367 -179.287 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' C' ' 11' ' ' GLN . 91.0 mt -34.65 132.35 0.31 Allowed 'General case' 0 N--CA 1.464 0.258 0 O-C-N 123.355 0.41 . . . . 0.0 110.827 -179.522 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 13' ' ' THR . . . . . 0.43 ' OG1' ' OE1' ' C' ' 16' ' ' GLN . 67.9 p -75.72 166.03 24.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.802 -179.646 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -61.21 -33.69 73.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.287 0.565 . . . . 0.0 110.622 -179.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -73.11 -44.15 60.7 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.72 179.197 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 16' ' ' GLN . . . . . 0.43 ' OE1' ' OG1' ' C' ' 13' ' ' THR . 2.2 mp0 -59.09 -44.16 91.9 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.389 179.689 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -62.97 -39.45 94.71 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.513 179.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -63.51 -39.95 95.78 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 120.055 -0.658 . . . . 0.0 110.901 -179.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . 0.433 ' HB3' HD11 ' I' ' 158' ' ' LEU . 42.7 mt-10 -60.96 -43.66 98.43 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 120.95 0.405 . . . . 0.0 111.074 -179.482 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -64.7 -41.11 96.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.128 0.49 . . . . 0.0 110.393 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 40.0 tptt -62.0 -39.97 94.05 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.975 179.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.59 -42.77 93.28 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.789 -0.365 . . . . 0.0 110.108 -179.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.96 -39.98 96.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.344 179.132 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 24' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -60.21 -45.95 91.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.42 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 25' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -59.49 -45.64 91.1 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.915 0.388 . . . . 0.0 110.754 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 87.8 mt -63.44 -39.57 85.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.148 0.499 . . . . 0.0 110.666 179.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 27' ' ' PHE . . . . . 0.556 ' HB3' HD12 ' C' ' 36' ' ' ILE . 2.8 m-85 -56.96 -38.11 72.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.156 -179.354 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . 0.416 ' O ' ' C ' ' C' ' 29' ' ' LEU . 34.8 m -92.26 30.84 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.747 179.579 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 29' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' C' ' 28' ' ' VAL . 0.9 OUTLIER -35.35 -40.31 0.14 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.052 -179.911 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . -151.93 52.18 0.49 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.074 -0.811 . . . . 0.0 111.074 179.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -93.66 121.09 34.73 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.48 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -63.33 -39.54 94.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.683 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 56.8 p30 -79.5 -14.31 58.97 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.81 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.83 18.67 80.11 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 179.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 35' ' ' CYS . . . . . 0.425 ' C ' HD13 ' C' ' 36' ' ' ILE . 80.3 m -131.38 171.56 13.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.92 0.39 . . . . 0.0 110.854 -179.728 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . 0.577 ' N ' HD13 ' C' ' 36' ' ' ILE . 1.2 mm -94.21 121.97 45.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.074 -179.324 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 34.9 p -129.09 -167.06 1.73 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.103 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 71.5 p -64.55 -22.54 67.0 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.416 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.11 -49.28 11.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.833 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 40' ' ' GLU . . . . . 0.466 ' O ' HG23 ' C' ' 44' ' ' VAL . 28.1 mp0 -61.97 -40.51 95.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.539 179.671 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 41' ' ' LEU . . . . . 0.583 HD23 HD22 ' C' ' 57' ' ' LEU . 4.3 tp -70.53 -36.05 73.51 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.224 179.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.29 -40.8 97.92 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 -179.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 52.7 tttp -71.4 -39.23 71.27 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 121.214 0.53 . . . . 0.0 110.2 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 44' ' ' VAL . . . . . 0.466 HG23 ' O ' ' C' ' 40' ' ' GLU . 53.6 t -60.47 -39.52 81.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.651 179.665 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 9.2 mmt -51.69 -18.73 1.3 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.321 -178.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 24.6 mmt85 -61.47 -37.06 82.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.3 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 47' ' ' MET . . . . . . . . . . . . . 65.0 mtt -62.02 -40.07 94.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.132 -179.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' C' ' 48' ' ' LEU . 81.4 mt -66.99 -30.28 70.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.49 179.18 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 99.2 26.76 8.59 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . 0.41 ' NE2' HD11 ' I' ' 148' ' ' ILE . 9.9 pt20 -142.97 160.65 39.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.901 0.382 . . . . 0.0 110.659 -179.721 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -141.47 80.14 16.62 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.475 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -60.27 -157.86 0.02 OUTLIER 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.939 2.426 . . . . 0.0 111.906 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 16.6 p -114.23 150.3 43.47 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 115.439 -0.801 . . . . 0.0 111.53 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 54' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -62.24 -28.19 78.94 Favored 'Trans proline' 0 N--CA 1.495 1.588 0 C-N-CA 122.029 1.82 . . . . 0.0 112.864 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 55' ' ' GLU . . . . . 0.473 ' CG ' ' N ' ' C' ' 56' ' ' GLU . 8.0 pt-20 -63.19 -49.28 74.85 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.014 0.435 . . . . 0.0 111.98 -179.074 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . 0.473 ' N ' ' CG ' ' C' ' 55' ' ' GLU . 11.7 pt-20 -71.54 -31.27 66.83 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.357 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 57' ' ' LEU . . . . . 0.583 HD22 HD23 ' C' ' 41' ' ' LEU . 79.0 mt -62.36 -40.83 97.72 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.19 0.519 . . . . 0.0 110.128 179.174 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -67.9 -39.55 83.58 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.823 179.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -59.58 -42.95 93.65 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.321 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 75.5 mtm -64.02 -41.27 97.51 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.612 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 61' ' ' ILE . . . . . 0.447 HG21 ' C ' ' C' ' 70' ' ' GLY . 87.0 mt -61.84 -43.52 97.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 CA-C-O 121.175 0.512 . . . . 0.0 110.293 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -61.0 -38.41 85.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.636 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 63' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -60.81 -45.96 92.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.649 -0.251 . . . . 0.0 111.195 -179.419 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 10.7 p -81.82 -31.88 11.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 120.629 -0.429 . . . . 0.0 111.165 -179.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 65' ' ' ASP . . . . . 0.419 ' OD2' HG22 ' C' ' 61' ' ' ILE . 77.6 m-20 -70.24 126.31 29.28 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.569 -0.453 . . . . 0.0 110.562 -179.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 66' ' ' GLU . . . . . 0.456 ' N ' ' OE1' ' C' ' 66' ' ' GLU . 59.9 mp0 -86.58 -16.15 37.69 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.405 179.119 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 67' ' ' ASP . . . . . . . . . . . . . 58.3 p30 -104.35 -10.89 17.46 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.974 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 67.07 22.6 72.53 Favored Glycine 0 CA--C 1.52 0.394 0 N-CA-C 110.557 -1.017 . . . . 0.0 110.557 179.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 69' ' ' SER . . . . . . . . . . . . . 96.4 p -59.64 -28.2 67.03 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.998 -179.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 70' ' ' GLY . . . . . 0.447 ' C ' HG21 ' C' ' 61' ' ' ILE . . . 93.23 -1.58 70.16 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 68.2 p -132.81 163.85 28.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.728 0.299 . . . . 0.0 110.72 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 95.8 t -117.2 126.12 74.34 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.479 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 73' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -94.37 177.19 6.03 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.727 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 74' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -58.71 -49.29 78.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.214 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 75' ' ' ASP . . . . . 0.643 ' O ' HG23 ' C' ' 79' ' ' VAL . 98.3 m-20 -61.93 -44.09 97.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.881 0.372 . . . . 0.0 110.146 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -65.2 -40.22 93.9 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.091 0.472 . . . . 0.0 110.132 178.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 77' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -59.63 -47.15 86.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.354 178.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 6.8 tp -63.4 -39.53 94.76 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.311 -0.556 . . . . 0.0 110.001 -179.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 79' ' ' VAL . . . . . 0.729 HG13 ' OH ' ' C' ' 5' ' ' TYR . 73.3 t -63.33 -44.12 98.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.44 -179.337 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 80' ' ' MET . . . . . . . . . . . . . 1.9 ptt? -68.66 -30.99 69.8 Favored 'General case' 0 CA--C 1.519 -0.217 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 -178.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.67 -47.66 62.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.04 -179.605 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 70.4 t -63.6 -45.06 98.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.549 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 83' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' C' ' 87' ' ' ASP . 20.9 mtt180 -61.9 -44.54 96.59 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.765 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 84' ' ' CYS . . . . . . . . . . . . . 98.1 m -65.45 -40.1 92.82 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.659 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 85' ' ' MET . . . . . 0.433 ' C ' ' SD ' ' C' ' 85' ' ' MET . 0.7 OUTLIER -62.9 -44.07 97.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.688 -179.098 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -85.75 -51.13 6.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.669 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 87' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' C' ' 83' ' ' ARG . 54.4 t0 47.74 50.65 15.11 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.438 179.476 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -124.3 73.85 1.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.528 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 60.5 p . . . . . 0 C--O 1.22 -0.5 0 CA-C-O 117.963 -1.018 . . . . 0.0 110.516 179.762 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' I' I ' 144' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' I' I ' 145' ' ' ARG . . . . . . . . . . . . . 82.4 mtt85 -83.18 -84.9 0.12 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.634 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 146' ' ' VAL . . . . . . . . . . . . . 55.4 t -62.79 -44.58 99.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.734 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 147' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -83.73 126.0 32.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.553 -179.499 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' I' I ' 148' ' ' ILE . . . . . 0.431 ' O ' ' OG ' ' I' ' 149' ' ' SER . 3.1 tp -68.22 -29.36 44.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.504 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' I' I ' 149' ' ' SER . . . . . 0.431 ' OG ' ' O ' ' I' ' 148' ' ' ILE . 2.2 p 74.13 122.52 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.202 -179.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' I' I ' 150' ' ' ALA . . . . . . . . . . . . . . . -61.05 -20.83 63.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.345 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 151' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -58.8 -41.97 87.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.577 -179.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 152' ' ' ALA . . . . . . . . . . . . . . . -61.98 -44.25 97.13 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.507 179.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 153' ' ' MET . . . . . 0.466 ' O ' HD12 ' I' ' 157' ' ' LEU . 58.2 ttm -70.1 -40.57 74.87 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 121.281 0.562 . . . . 0.0 110.568 179.701 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' I' I ' 154' ' ' MET . . . . . 0.45 ' O ' ' O ' ' I' ' 157' ' ' LEU . 2.0 mtt -60.7 -23.43 64.87 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.224 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' I' I ' 155' ' ' GLN . . . . . 0.513 ' NE2' ' ND1' ' I' ' 162' ' ' HIS . 69.3 tp60 -61.69 -42.02 98.36 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.065 -179.245 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' I' I ' 156' ' ' ALA . . . . . . . . . . . . . . . -69.52 -41.4 76.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.148 179.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 157' ' ' LEU . . . . . 0.558 ' H ' HD12 ' I' ' 157' ' ' LEU . 0.0 OUTLIER -138.9 150.74 46.28 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.403 -178.587 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' I' I ' 158' ' ' LEU . . . . . 0.433 HD11 ' HB3' ' C' ' 19' ' ' GLU . 4.8 mp 58.23 89.76 0.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.062 -179.571 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' I' I ' 159' ' ' GLY . . . . . . . . . . . . . . . -60.4 152.28 38.06 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 -179.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 160' ' ' ALA . . . . . 0.714 ' H ' ' CD2' ' I' ' 162' ' ' HIS . . . -147.24 70.31 1.18 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.761 0.315 . . . . 0.0 110.781 -179.691 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' I' I ' 161' ' ' ARG . . . . . . . . . . . . . 31.1 ttm180 59.91 54.21 4.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.843 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 162' ' ' HIS . . . . . 0.714 ' CD2' ' H ' ' I' ' 160' ' ' ALA . 26.9 p80 -162.22 172.04 16.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.459 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' I' I ' 163' ' ' LYS . . . . . 0.484 ' O ' ' ND1' ' I' ' 162' ' ' HIS . 37.8 mttp -40.68 149.1 0.08 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.586 179.336 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' I' I ' 164' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 58.34 40.77 24.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.171 -179.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 165' ' ' SER . . . . . 0.59 ' HB3' HD23 ' I' ' 168' ' ' LEU . 70.0 m -61.4 138.92 58.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.451 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' I' I ' 166' ' ' LEU . . . . . . . . . . . . . 67.9 mt -112.48 102.77 10.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.542 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 167' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 41.68 71.28 0.22 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.602 179.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 168' ' ' LEU . . . . . 0.59 HD23 ' HB3' ' I' ' 165' ' ' SER . 0.7 OUTLIER -78.58 -4.82 50.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.699 -179.712 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' I' I ' 169' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -84.33 92.46 8.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.921 0.391 . . . . 0.0 110.617 179.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 170' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 118.003 -0.999 . . . . 0.0 110.509 179.913 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_